Showing NP-Card for GE2270 D1 (NP0022372)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 07:33:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:38:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0022372 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | GE2270 D1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | GE2270 D1 is found in Planobispora rosea. It was first documented in 1995 (PMID: 7647369). Based on a literature review very few articles have been published on 1-[2-(2-{16,23,30,33-tetrahydroxy-35-[hydroxy(phenyl)methyl]-18-[(C-hydroxycarbonimidoyl)methyl]-21-methyl-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1²,⁵.1¹²,¹⁵.1¹⁹,²².1²⁶,²⁹.0⁶,¹¹]Tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl}-1,3-thiazol-4-yl)-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboximidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0022372 (GE2270 D1)Mrv1652307042108073D 132142 0 0 0 0 999 V2000 -5.7860 -7.0579 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -5.6775 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -5.1956 0.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 -3.4898 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -3.4061 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8904 -4.4549 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 -4.2909 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -5.1852 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 -3.1241 1.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -2.3627 0.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7303 -3.0163 -0.9768 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1971 -3.2259 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0313 -4.2714 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6583 -1.0213 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3837 0.0244 -0.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 1.1608 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8548 1.2235 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7974 -0.3910 1.5199 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6003 2.2924 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5118 3.1400 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 2.4821 -1.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 2.2553 -0.7596 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1213 3.0507 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 2.8030 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 4.0709 0.7258 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 3.9344 0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0873 5.2754 0.6313 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 5.6919 1.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 6.3261 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 6.0578 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 7.0323 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 8.3425 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 8.6572 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 7.6466 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 3.1049 1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 2.1589 1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.4669 2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.7998 3.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 3.0682 3.3146 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.3950 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 0.4875 1.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.4614 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -1.5445 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.1021 2.9942 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.2582 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.4163 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -0.1870 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -0.3777 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 -0.2279 -0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -0.4686 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -0.2586 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 -0.4843 0.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 -0.1916 -0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7163 -1.2944 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2843 -2.4799 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1065 -1.0848 -0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 0.2427 -0.1845 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0350 0.1180 0.5737 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3058 -1.3411 0.7270 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1477 -2.0700 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6086 -2.6048 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 -2.2751 -2.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -3.4565 -1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -0.0862 -1.4191 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8204 0.2063 -1.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 -0.8906 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -0.9091 2.0404 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 0.2307 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 0.4022 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.1532 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 0.3208 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -0.5302 -1.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.2460 -2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 1.0025 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 1.6495 -2.5397 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -1.2676 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 -1.1667 -3.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -2.3051 -1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -2.2967 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8980 -1.0778 0.4449 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0664 -1.1903 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -2.3294 2.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 -0.2541 2.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9436 -7.7666 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -7.0510 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4633 -7.3441 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 -2.8311 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9527 -2.1592 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 -2.3082 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 -3.0286 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5370 -2.4723 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4353 -4.2545 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9487 -4.0487 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3921 -4.6505 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1448 -5.1050 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4543 2.0822 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2365 2.8035 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 1.1751 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 2.5315 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 4.9925 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 3.4324 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 5.1477 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 6.4890 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 5.0320 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 6.8177 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 9.1269 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 9.6941 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 7.9546 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.3830 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 -2.4271 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1267 0.7669 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9037 0.4915 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 0.9813 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8517 0.6045 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 0.6397 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 -1.6662 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2993 -1.5663 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -2.9215 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 -3.0562 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 -1.3071 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 0.7518 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -1.0602 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6461 -1.1475 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 0.4348 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.7530 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 1.4486 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.2967 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -2.3863 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -0.9288 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 -0.2122 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -2.6109 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -2.8969 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 26 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 2 0 0 0 0 53 64 1 0 0 0 0 64 65 1 0 0 0 0 50 66 2 0 0 0 0 66 67 1 0 0 0 0 47 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 73 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 2 0 0 0 0 6 2 2 0 0 0 0 18 14 1 0 0 0 0 34 29 1 0 0 0 0 39 35 1 0 0 0 0 44 40 1 0 0 0 0 70 45 1 0 0 0 0 75 71 1 0 0 0 0 79 4 1 0 0 0 0 67 48 1 0 0 0 0 65 51 1 0 0 0 0 60 56 1 0 0 0 0 1 84 1 0 0 0 0 1 85 1 0 0 0 0 1 86 1 0 0 0 0 9 87 1 0 0 0 0 10 88 1 6 0 0 0 11 89 1 6 0 0 0 12 90 1 0 0 0 0 12 91 1 0 0 0 0 12 92 1 0 0 0 0 13 93 1 0 0 0 0 13 94 1 0 0 0 0 13 95 1 0 0 0 0 17 96 1 0 0 0 0 21 97 1 0 0 0 0 22 98 1 0 0 0 0 22 99 1 0 0 0 0 25100 1 0 0 0 0 26101 1 6 0 0 0 27102 1 1 0 0 0 28103 1 0 0 0 0 30104 1 0 0 0 0 31105 1 0 0 0 0 32106 1 0 0 0 0 33107 1 0 0 0 0 34108 1 0 0 0 0 38109 1 0 0 0 0 43110 1 0 0 0 0 53111 1 1 0 0 0 57112 1 0 0 0 0 57113 1 0 0 0 0 58114 1 0 0 0 0 58115 1 0 0 0 0 59116 1 0 0 0 0 59117 1 0 0 0 0 60118 1 1 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 64121 1 0 0 0 0 64122 1 0 0 0 0 66123 1 0 0 0 0 68124 1 0 0 0 0 69125 1 0 0 0 0 74126 1 0 0 0 0 78127 1 0 0 0 0 79128 1 1 0 0 0 80129 1 0 0 0 0 80130 1 0 0 0 0 82131 1 0 0 0 0 82132 1 0 0 0 0 M END 3D MOL for NP0022372 (GE2270 D1)RDKit 3D 132142 0 0 0 0 0 0 0 0999 V2000 -5.7860 -7.0579 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -5.6775 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -5.1956 0.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 -3.4898 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -3.4061 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8904 -4.4549 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 -4.2909 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -5.1852 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 -3.1241 1.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -2.3627 0.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7303 -3.0163 -0.9768 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1971 -3.2259 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0313 -4.2714 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6583 -1.0213 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3837 0.0244 -0.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 1.1608 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8548 1.2235 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7974 -0.3910 1.5199 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6003 2.2924 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5118 3.1400 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 2.4821 -1.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 2.2553 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 3.0507 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 2.8030 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 4.0709 0.7258 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 3.9344 0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0873 5.2754 0.6313 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 5.6919 1.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 6.3261 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 6.0578 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 7.0323 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 8.3425 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 8.6572 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 7.6466 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 3.1049 1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 2.1589 1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.4669 2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.7998 3.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 3.0682 3.3146 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.3950 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 0.4875 1.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.4614 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -1.5445 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.1021 2.9942 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.2582 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.4163 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -0.1870 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -0.3777 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 -0.2279 -0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -0.4686 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -0.2586 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 -0.4843 0.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 -0.1916 -0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7163 -1.2944 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2843 -2.4799 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1065 -1.0848 -0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 0.2427 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 0.1180 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3058 -1.3411 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1477 -2.0700 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6086 -2.6048 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 -2.2751 -2.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -3.4565 -1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -0.0862 -1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8204 0.2063 -1.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 -0.8906 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -0.9091 2.0404 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 0.2307 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 0.4022 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.1532 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 0.3208 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -0.5302 -1.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.2460 -2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 1.0025 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 1.6495 -2.5397 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -1.2676 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 -1.1667 -3.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -2.3051 -1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -2.2967 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8980 -1.0778 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0664 -1.1903 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -2.3294 2.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 -0.2541 2.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9436 -7.7666 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -7.0510 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4633 -7.3441 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 -2.8311 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9527 -2.1592 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 -2.3082 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 -3.0286 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5370 -2.4723 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4353 -4.2545 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9487 -4.0487 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3921 -4.6505 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1448 -5.1050 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4543 2.0822 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2365 2.8035 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 1.1751 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 2.5315 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 4.9925 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 3.4324 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 5.1477 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 6.4890 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 5.0320 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 6.8177 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 9.1269 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 9.6941 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 7.9546 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.3830 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 -2.4271 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1267 0.7669 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9037 0.4915 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 0.9813 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8517 0.6045 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 0.6397 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 -1.6662 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2993 -1.5663 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -2.9215 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 -3.0562 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 -1.3071 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 0.7518 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -1.0602 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6461 -1.1475 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 0.4348 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.7530 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 1.4486 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.2967 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -2.3863 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -0.9288 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 -0.2122 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -2.6109 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -2.8969 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 16 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 26 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 37 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 42 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 2 0 53 64 1 0 64 65 1 0 50 66 2 0 66 67 1 0 47 68 2 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 2 0 72 73 1 0 73 74 2 0 74 75 1 0 73 76 1 0 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 81 83 2 0 6 2 2 0 18 14 1 0 34 29 1 0 39 35 1 0 44 40 1 0 70 45 1 0 75 71 1 0 79 4 1 0 67 48 1 0 65 51 1 0 60 56 1 0 1 84 1 0 1 85 1 0 1 86 1 0 9 87 1 0 10 88 1 6 11 89 1 6 12 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 13 95 1 0 17 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 25100 1 0 26101 1 6 27102 1 1 28103 1 0 30104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 38109 1 0 43110 1 0 53111 1 1 57112 1 0 57113 1 0 58114 1 0 58115 1 0 59116 1 0 59117 1 0 60118 1 1 62119 1 0 62120 1 0 64121 1 0 64122 1 0 66123 1 0 68124 1 0 69125 1 0 74126 1 0 78127 1 0 79128 1 1 80129 1 0 80130 1 0 82131 1 0 82132 1 0 M END 3D SDF for NP0022372 (GE2270 D1)Mrv1652307042108073D 132142 0 0 0 0 999 V2000 -5.7860 -7.0579 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -5.6775 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -5.1956 0.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 -3.4898 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -3.4061 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8904 -4.4549 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 -4.2909 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -5.1852 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 -3.1241 1.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -2.3627 0.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7303 -3.0163 -0.9768 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1971 -3.2259 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0313 -4.2714 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6583 -1.0213 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3837 0.0244 -0.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 1.1608 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8548 1.2235 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7974 -0.3910 1.5199 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6003 2.2924 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5118 3.1400 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 2.4821 -1.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 2.2553 -0.7596 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1213 3.0507 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 2.8030 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 4.0709 0.7258 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 3.9344 0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0873 5.2754 0.6313 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 5.6919 1.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 6.3261 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 6.0578 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 7.0323 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 8.3425 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 8.6572 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 7.6466 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 3.1049 1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 2.1589 1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.4669 2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.7998 3.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 3.0682 3.3146 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.3950 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 0.4875 1.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.4614 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -1.5445 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.1021 2.9942 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.2582 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.4163 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -0.1870 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -0.3777 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 -0.2279 -0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -0.4686 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -0.2586 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 -0.4843 0.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 -0.1916 -0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7163 -1.2944 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2843 -2.4799 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1065 -1.0848 -0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 0.2427 -0.1845 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0350 0.1180 0.5737 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3058 -1.3411 0.7270 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1477 -2.0700 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6086 -2.6048 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 -2.2751 -2.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -3.4565 -1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -0.0862 -1.4191 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8204 0.2063 -1.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 -0.8906 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -0.9091 2.0404 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 0.2307 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 0.4022 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.1532 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 0.3208 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -0.5302 -1.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.2460 -2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 1.0025 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 1.6495 -2.5397 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -1.2676 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 -1.1667 -3.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -2.3051 -1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -2.2967 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8980 -1.0778 0.4449 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0664 -1.1903 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -2.3294 2.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 -0.2541 2.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9436 -7.7666 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -7.0510 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4633 -7.3441 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 -2.8311 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9527 -2.1592 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 -2.3082 -1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 -3.0286 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5370 -2.4723 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4353 -4.2545 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9487 -4.0487 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3921 -4.6505 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1448 -5.1050 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4543 2.0822 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2365 2.8035 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9454 1.1751 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2268 2.5315 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 4.9925 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 3.4324 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 5.1477 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 6.4890 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 5.0320 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3847 6.8177 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 9.1269 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 9.6941 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 7.9546 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.3830 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 -2.4271 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1267 0.7669 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9037 0.4915 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 0.9813 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8517 0.6045 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 0.6397 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 -1.6662 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2993 -1.5663 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -2.9215 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 -3.0562 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 -1.3071 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 0.7518 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -1.0602 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6461 -1.1475 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 0.4348 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.7530 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 1.4486 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.2967 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -2.3863 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -0.9288 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 -0.2122 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -2.6109 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -2.8969 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 26 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 2 0 0 0 0 53 64 1 0 0 0 0 64 65 1 0 0 0 0 50 66 2 0 0 0 0 66 67 1 0 0 0 0 47 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 73 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 2 0 0 0 0 6 2 2 0 0 0 0 18 14 1 0 0 0 0 34 29 1 0 0 0 0 39 35 1 0 0 0 0 44 40 1 0 0 0 0 70 45 1 0 0 0 0 75 71 1 0 0 0 0 79 4 1 0 0 0 0 67 48 1 0 0 0 0 65 51 1 0 0 0 0 60 56 1 0 0 0 0 1 84 1 0 0 0 0 1 85 1 0 0 0 0 1 86 1 0 0 0 0 9 87 1 0 0 0 0 10 88 1 6 0 0 0 11 89 1 6 0 0 0 12 90 1 0 0 0 0 12 91 1 0 0 0 0 12 92 1 0 0 0 0 13 93 1 0 0 0 0 13 94 1 0 0 0 0 13 95 1 0 0 0 0 17 96 1 0 0 0 0 21 97 1 0 0 0 0 22 98 1 0 0 0 0 22 99 1 0 0 0 0 25100 1 0 0 0 0 26101 1 6 0 0 0 27102 1 1 0 0 0 28103 1 0 0 0 0 30104 1 0 0 0 0 31105 1 0 0 0 0 32106 1 0 0 0 0 33107 1 0 0 0 0 34108 1 0 0 0 0 38109 1 0 0 0 0 43110 1 0 0 0 0 53111 1 1 0 0 0 57112 1 0 0 0 0 57113 1 0 0 0 0 58114 1 0 0 0 0 58115 1 0 0 0 0 59116 1 0 0 0 0 59117 1 0 0 0 0 60118 1 1 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 64121 1 0 0 0 0 64122 1 0 0 0 0 66123 1 0 0 0 0 68124 1 0 0 0 0 69125 1 0 0 0 0 74126 1 0 0 0 0 78127 1 0 0 0 0 79128 1 1 0 0 0 80129 1 0 0 0 0 80130 1 0 0 0 0 82131 1 0 0 0 0 82132 1 0 0 0 0 M END > <DATABASE_ID> NP0022372 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]1([H])N([H])C(=O)C([H])([H])N([H])C(=O)C2=C([H])SC(=N2)[C@@]([H])(N([H])C(=O)C2=C(SC(=N2)[C@@]([H])(N([H])C(=O)C2=C([H])SC(=N2)C2=C([H])C([H])=C(N=C2C2=C([H])SC(=N2)C2=C([H])SC1=N2)C1=NC(=C([H])S1)C1=N[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C(=O)N([H])[H])C([H])([H])O1)C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C53H49N15O9S6/c1-22(2)37-51-62-30(18-81-51)43(73)56-15-36(70)65-40(41(71)24-8-5-4-6-9-24)52-64-33(21-82-52)49-60-29(17-79-49)39-25(47-61-31(19-78-47)44(74)58-27(14-35(54)69)50-67-38(23(3)83-50)45(75)66-37)11-12-26(57-39)48-63-32(20-80-48)46-59-28(16-77-46)53(76)68-13-7-10-34(68)42(55)72/h4-6,8-9,11-12,17-22,27-28,34,37,40-41,71H,7,10,13-16H2,1-3H3,(H2,54,69)(H2,55,72)(H,56,73)(H,58,74)(H,65,70)(H,66,75)/t27-,28+,34+,37-,40-,41+/m0/s1 > <INCHI_KEY> LJXRVDJXWYMJFF-UHFFFAOYSA-N > <FORMULA> C53H49N15O9S6 > <MOLECULAR_WEIGHT> 1232.43 > <EXACT_MASS> 1231.216195262 > <JCHEM_ACCEPTOR_COUNT> 16 > <JCHEM_ATOM_COUNT> 132 > <JCHEM_AVERAGE_POLARIZABILITY> 126.59734673755693 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-1-[(4R)-2-{2-[(18S,25S,35S)-18-(carbamoylmethyl)-35-[(R)-hydroxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide > <ALOGPS_LOGP> 4.00 > <JCHEM_LOGP> 4.036598468999997 > <ALOGPS_LOGS> -4.89 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 11 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.897787377554696 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.46379206614566 > <JCHEM_PKA_STRONGEST_BASIC> 0.3033062151008443 > <JCHEM_POLAR_SURFACE_AREA> 354.93999999999994 > <JCHEM_REFRACTIVITY> 334.2414 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.60e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R)-1-[(4R)-2-{2-[(18S,25S,35S)-18-(carbamoylmethyl)-35-[(R)-hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0022372 (GE2270 D1)RDKit 3D 132142 0 0 0 0 0 0 0 0999 V2000 -5.7860 -7.0579 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -5.6775 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -5.1956 0.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 -3.4898 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -3.4061 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8904 -4.4549 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 -4.2909 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -5.1852 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 -3.1241 1.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -2.3627 0.1788 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7303 -3.0163 -0.9768 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1971 -3.2259 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0313 -4.2714 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6583 -1.0213 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3837 0.0244 -0.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9569 1.1608 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8548 1.2235 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7974 -0.3910 1.5199 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6003 2.2924 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5118 3.1400 -1.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 2.4821 -1.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0924 2.2553 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 3.0507 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0199 2.8030 1.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 4.0709 0.7258 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 3.9344 0.4774 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0873 5.2754 0.6313 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 5.6919 1.9418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 6.3261 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 6.0578 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 7.0323 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 8.3425 -1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 8.6572 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 7.6466 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2036 3.1049 1.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 2.1589 1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.4669 2.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 1.7998 3.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 3.0682 3.3146 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 0.3950 2.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 0.4875 1.3699 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0129 -0.4614 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -1.5445 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.1021 2.9942 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 -0.2582 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3886 -0.4163 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -0.1870 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -0.3777 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 -0.2279 -0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 -0.4686 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4523 -0.2586 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 -0.4843 0.7396 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 -0.1916 -0.0063 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7163 -1.2944 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2843 -2.4799 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1065 -1.0848 -0.0071 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 0.2427 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 0.1180 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3058 -1.3411 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1477 -2.0700 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6086 -2.6048 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 -2.2751 -2.4736 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5762 -3.4565 -1.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1764 -0.0862 -1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8204 0.2063 -1.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 -0.8906 1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -0.9091 2.0404 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 0.2307 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0036 0.4022 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.1532 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5681 0.3208 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4169 -0.5302 -1.6884 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.2460 -2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 1.0025 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 1.6495 -2.5397 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -1.2676 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 -1.1667 -3.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -2.3051 -1.4601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -2.2967 -0.0534 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8980 -1.0778 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0664 -1.1903 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -2.3294 2.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 -0.2541 2.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9436 -7.7666 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -7.0510 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4633 -7.3441 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 -2.8311 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9527 -2.1592 -0.1128 H 0 0 0 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0 -2.1802 1.3830 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 -2.4271 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1267 0.7669 0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9037 0.4915 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1071 0.9813 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8517 0.6045 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 0.6397 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 -1.6662 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2993 -1.5663 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -2.9215 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9156 -3.0562 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 -1.3071 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 0.7518 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 -1.0602 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6461 -1.1475 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 0.4348 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.7530 -2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 1.4486 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -3.2967 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -2.3863 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -0.9288 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 -0.2122 0.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2196 -2.6109 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -2.8969 2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 16 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 26 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 37 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 42 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 2 0 53 64 1 0 64 65 1 0 50 66 2 0 66 67 1 0 47 68 2 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 2 0 72 73 1 0 73 74 2 0 74 75 1 0 73 76 1 0 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 81 83 2 0 6 2 2 0 18 14 1 0 34 29 1 0 39 35 1 0 44 40 1 0 70 45 1 0 75 71 1 0 79 4 1 0 67 48 1 0 65 51 1 0 60 56 1 0 1 84 1 0 1 85 1 0 1 86 1 0 9 87 1 0 10 88 1 6 11 89 1 6 12 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 13 95 1 0 17 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 25100 1 0 26101 1 6 27102 1 1 28103 1 0 30104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 38109 1 0 43110 1 0 53111 1 1 57112 1 0 57113 1 0 58114 1 0 58115 1 0 59116 1 0 59117 1 0 60118 1 1 62119 1 0 62120 1 0 64121 1 0 64122 1 0 66123 1 0 68124 1 0 69125 1 0 74126 1 0 78127 1 0 79128 1 1 80129 1 0 80130 1 0 82131 1 0 82132 1 0 M END PDB for NP0022372 (GE2270 D1)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -5.786 -7.058 1.217 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.278 -5.678 0.946 0.00 0.00 C+0 HETATM 3 S UNK 0 -3.746 -5.196 0.320 0.00 0.00 S+0 HETATM 4 C UNK 0 -3.999 -3.490 0.333 0.00 0.00 C+0 HETATM 5 N UNK 0 -5.215 -3.406 0.807 0.00 0.00 N+0 HETATM 6 C UNK 0 -5.890 -4.455 1.125 0.00 0.00 C+0 HETATM 7 C UNK 0 -7.273 -4.291 1.670 0.00 0.00 C+0 HETATM 8 O UNK 0 -7.781 -5.185 2.387 0.00 0.00 O+0 HETATM 9 N UNK 0 -8.051 -3.124 1.391 0.00 0.00 N+0 HETATM 10 C UNK 0 -7.998 -2.363 0.179 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.730 -3.016 -0.977 0.00 0.00 C+0 HETATM 12 C UNK 0 -10.197 -3.226 -0.686 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.031 -4.271 -1.432 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.658 -1.021 0.417 0.00 0.00 C+0 HETATM 15 N UNK 0 -8.384 0.024 -0.336 0.00 0.00 N+0 HETATM 16 C UNK 0 -8.957 1.161 -0.115 0.00 0.00 C+0 HETATM 17 C UNK 0 -9.855 1.224 0.931 0.00 0.00 C+0 HETATM 18 S UNK 0 -9.797 -0.391 1.520 0.00 0.00 S+0 HETATM 19 C UNK 0 -8.600 2.292 -1.009 0.00 0.00 C+0 HETATM 20 O UNK 0 -9.512 3.140 -1.311 0.00 0.00 O+0 HETATM 21 N UNK 0 -7.299 2.482 -1.544 0.00 0.00 N+0 HETATM 22 C UNK 0 -6.092 2.255 -0.760 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.121 3.051 0.499 0.00 0.00 C+0 HETATM 24 O UNK 0 -7.020 2.803 1.375 0.00 0.00 O+0 HETATM 25 N UNK 0 -5.170 4.071 0.726 0.00 0.00 N+0 HETATM 26 C UNK 0 -3.749 3.934 0.477 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.087 5.275 0.631 0.00 0.00 C+0 HETATM 28 O UNK 0 -3.321 5.692 1.942 0.00 0.00 O+0 HETATM 29 C UNK 0 -3.566 6.326 -0.258 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.323 6.058 -1.365 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.780 7.032 -2.219 0.00 0.00 C+0 HETATM 32 C UNK 0 -4.484 8.342 -1.984 0.00 0.00 C+0 HETATM 33 C UNK 0 -3.716 8.657 -0.865 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.264 7.647 -0.012 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.204 3.105 1.630 0.00 0.00 C+0 HETATM 36 N UNK 0 -2.321 2.159 1.460 0.00 0.00 N+0 HETATM 37 C UNK 0 -1.871 1.467 2.468 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.387 1.800 3.712 0.00 0.00 C+0 HETATM 39 S UNK 0 -3.461 3.068 3.315 0.00 0.00 S+0 HETATM 40 C UNK 0 -0.837 0.395 2.258 0.00 0.00 C+0 HETATM 41 N UNK 0 0.105 0.488 1.370 0.00 0.00 N+0 HETATM 42 C UNK 0 1.013 -0.461 1.230 0.00 0.00 C+0 HETATM 43 C UNK 0 0.899 -1.545 2.072 0.00 0.00 C+0 HETATM 44 S UNK 0 -0.504 -1.102 2.994 0.00 0.00 S+0 HETATM 45 C UNK 0 2.120 -0.258 0.220 0.00 0.00 C+0 HETATM 46 N UNK 0 3.389 -0.416 0.648 0.00 0.00 N+0 HETATM 47 C UNK 0 4.471 -0.187 -0.113 0.00 0.00 C+0 HETATM 48 C UNK 0 5.815 -0.378 0.426 0.00 0.00 C+0 HETATM 49 N UNK 0 7.015 -0.228 -0.073 0.00 0.00 N+0 HETATM 50 C UNK 0 8.070 -0.469 0.631 0.00 0.00 C+0 HETATM 51 C UNK 0 9.452 -0.259 0.099 0.00 0.00 C+0 HETATM 52 N UNK 0 10.535 -0.484 0.740 0.00 0.00 N+0 HETATM 53 C UNK 0 11.730 -0.192 -0.006 0.00 0.00 C+0 HETATM 54 C UNK 0 12.716 -1.294 0.089 0.00 0.00 C+0 HETATM 55 O UNK 0 12.284 -2.480 0.271 0.00 0.00 O+0 HETATM 56 N UNK 0 14.107 -1.085 -0.007 0.00 0.00 N+0 HETATM 57 C UNK 0 14.720 0.243 -0.185 0.00 0.00 C+0 HETATM 58 C UNK 0 16.035 0.118 0.574 0.00 0.00 C+0 HETATM 59 C UNK 0 16.306 -1.341 0.727 0.00 0.00 C+0 HETATM 60 C UNK 0 15.148 -2.070 0.067 0.00 0.00 C+0 HETATM 61 C UNK 0 15.609 -2.605 -1.209 0.00 0.00 C+0 HETATM 62 N UNK 0 15.091 -2.275 -2.474 0.00 0.00 N+0 HETATM 63 O UNK 0 16.576 -3.457 -1.228 0.00 0.00 O+0 HETATM 64 C UNK 0 11.176 -0.086 -1.419 0.00 0.00 C+0 HETATM 65 O UNK 0 9.820 0.206 -1.155 0.00 0.00 O+0 HETATM 66 C UNK 0 7.881 -0.891 1.929 0.00 0.00 C+0 HETATM 67 S UNK 0 6.178 -0.909 2.040 0.00 0.00 S+0 HETATM 68 C UNK 0 4.312 0.231 -1.400 0.00 0.00 C+0 HETATM 69 C UNK 0 3.004 0.402 -1.875 0.00 0.00 C+0 HETATM 70 C UNK 0 1.905 0.153 -1.058 0.00 0.00 C+0 HETATM 71 C UNK 0 0.568 0.321 -1.666 0.00 0.00 C+0 HETATM 72 N UNK 0 -0.417 -0.530 -1.688 0.00 0.00 N+0 HETATM 73 C UNK 0 -1.549 -0.246 -2.297 0.00 0.00 C+0 HETATM 74 C UNK 0 -1.612 1.002 -2.896 0.00 0.00 C+0 HETATM 75 S UNK 0 -0.062 1.650 -2.540 0.00 0.00 S+0 HETATM 76 C UNK 0 -2.645 -1.268 -2.357 0.00 0.00 C+0 HETATM 77 O UNK 0 -3.453 -1.167 -3.362 0.00 0.00 O+0 HETATM 78 N UNK 0 -2.885 -2.305 -1.460 0.00 0.00 N+0 HETATM 79 C UNK 0 -3.161 -2.297 -0.053 0.00 0.00 C+0 HETATM 80 C UNK 0 -3.898 -1.078 0.445 0.00 0.00 C+0 HETATM 81 C UNK 0 -4.066 -1.190 1.929 0.00 0.00 C+0 HETATM 82 N UNK 0 -3.634 -2.329 2.661 0.00 0.00 N+0 HETATM 83 O UNK 0 -4.610 -0.254 2.578 0.00 0.00 O+0 HETATM 84 H UNK 0 -4.944 -7.767 1.355 0.00 0.00 H+0 HETATM 85 H UNK 0 -6.370 -7.051 2.156 0.00 0.00 H+0 HETATM 86 H UNK 0 -6.463 -7.344 0.391 0.00 0.00 H+0 HETATM 87 H UNK 0 -8.714 -2.831 2.177 0.00 0.00 H+0 HETATM 88 H UNK 0 -6.953 -2.159 -0.113 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.684 -2.308 -1.855 0.00 0.00 H+0 HETATM 90 H UNK 0 -10.803 -3.029 -1.618 0.00 0.00 H+0 HETATM 91 H UNK 0 -10.537 -2.472 0.047 0.00 0.00 H+0 HETATM 92 H UNK 0 -10.435 -4.255 -0.401 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.949 -4.049 -1.575 0.00 0.00 H+0 HETATM 94 H UNK 0 -8.392 -4.651 -2.390 0.00 0.00 H+0 HETATM 95 H UNK 0 -8.145 -5.105 -0.708 0.00 0.00 H+0 HETATM 96 H UNK 0 -10.454 2.082 1.289 0.00 0.00 H+0 HETATM 97 H UNK 0 -7.237 2.804 -2.550 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.945 1.175 -0.514 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.227 2.531 -1.378 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.534 4.992 1.109 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.536 3.432 -0.475 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.964 5.148 0.558 0.00 0.00 H+0 HETATM 103 H UNK 0 -3.905 6.489 2.003 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.568 5.032 -1.576 0.00 0.00 H+0 HETATM 105 H UNK 0 -5.385 6.818 -3.097 0.00 0.00 H+0 HETATM 106 H UNK 0 -4.843 9.127 -2.655 0.00 0.00 H+0 HETATM 107 H UNK 0 -3.494 9.694 -0.698 0.00 0.00 H+0 HETATM 108 H UNK 0 -2.668 7.955 0.837 0.00 0.00 H+0 HETATM 109 H UNK 0 -2.180 1.383 4.701 0.00 0.00 H+0 HETATM 110 H UNK 0 1.535 -2.427 2.131 0.00 0.00 H+0 HETATM 111 H UNK 0 12.127 0.767 0.356 0.00 0.00 H+0 HETATM 112 H UNK 0 14.904 0.492 -1.231 0.00 0.00 H+0 HETATM 113 H UNK 0 14.107 0.981 0.365 0.00 0.00 H+0 HETATM 114 H UNK 0 16.852 0.605 -0.001 0.00 0.00 H+0 HETATM 115 H UNK 0 15.976 0.640 1.558 0.00 0.00 H+0 HETATM 116 H UNK 0 17.282 -1.666 0.344 0.00 0.00 H+0 HETATM 117 H UNK 0 16.299 -1.566 1.823 0.00 0.00 H+0 HETATM 118 H UNK 0 14.877 -2.922 0.735 0.00 0.00 H+0 HETATM 119 H UNK 0 14.916 -3.056 -3.159 0.00 0.00 H+0 HETATM 120 H UNK 0 14.874 -1.307 -2.765 0.00 0.00 H+0 HETATM 121 H UNK 0 11.644 0.752 -1.963 0.00 0.00 H+0 HETATM 122 H UNK 0 11.235 -1.060 -1.959 0.00 0.00 H+0 HETATM 123 H UNK 0 8.646 -1.147 2.686 0.00 0.00 H+0 HETATM 124 H UNK 0 5.137 0.435 -2.063 0.00 0.00 H+0 HETATM 125 H UNK 0 2.846 0.753 -2.907 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.446 1.449 -3.453 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.881 -3.297 -1.913 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.234 -2.386 0.546 0.00 0.00 H+0 HETATM 129 H UNK 0 -4.889 -0.929 0.020 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.198 -0.212 0.316 0.00 0.00 H+0 HETATM 131 H UNK 0 -4.220 -2.611 3.483 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.799 -2.897 2.439 0.00 0.00 H+0 CONECT 1 2 84 85 86 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 79 CONECT 5 4 6 CONECT 6 5 7 2 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 87 CONECT 10 9 11 14 88 CONECT 11 10 12 13 89 CONECT 12 11 90 91 92 CONECT 13 11 93 94 95 CONECT 14 10 15 18 CONECT 15 14 16 CONECT 16 15 17 19 CONECT 17 16 18 96 CONECT 18 17 14 CONECT 19 16 20 21 CONECT 20 19 CONECT 21 19 22 97 CONECT 22 21 23 98 99 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 100 CONECT 26 25 27 35 101 CONECT 27 26 28 29 102 CONECT 28 27 103 CONECT 29 27 30 34 CONECT 30 29 31 104 CONECT 31 30 32 105 CONECT 32 31 33 106 CONECT 33 32 34 107 CONECT 34 33 29 108 CONECT 35 26 36 39 CONECT 36 35 37 CONECT 37 36 38 40 CONECT 38 37 39 109 CONECT 39 38 35 CONECT 40 37 41 44 CONECT 41 40 42 CONECT 42 41 43 45 CONECT 43 42 44 110 CONECT 44 43 40 CONECT 45 42 46 70 CONECT 46 45 47 CONECT 47 46 48 68 CONECT 48 47 49 67 CONECT 49 48 50 CONECT 50 49 51 66 CONECT 51 50 52 65 CONECT 52 51 53 CONECT 53 52 54 64 111 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 60 CONECT 57 56 58 112 113 CONECT 58 57 59 114 115 CONECT 59 58 60 116 117 CONECT 60 59 61 56 118 CONECT 61 60 62 63 CONECT 62 61 119 120 CONECT 63 61 CONECT 64 53 65 121 122 CONECT 65 64 51 CONECT 66 50 67 123 CONECT 67 66 48 CONECT 68 47 69 124 CONECT 69 68 70 125 CONECT 70 69 71 45 CONECT 71 70 72 75 CONECT 72 71 73 CONECT 73 72 74 76 CONECT 74 73 75 126 CONECT 75 74 71 CONECT 76 73 77 78 CONECT 77 76 CONECT 78 76 79 127 CONECT 79 78 80 4 128 CONECT 80 79 81 129 130 CONECT 81 80 82 83 CONECT 82 81 131 132 CONECT 83 81 CONECT 84 1 CONECT 85 1 CONECT 86 1 CONECT 87 9 CONECT 88 10 CONECT 89 11 CONECT 90 12 CONECT 91 12 CONECT 92 12 CONECT 93 13 CONECT 94 13 CONECT 95 13 CONECT 96 17 CONECT 97 21 CONECT 98 22 CONECT 99 22 CONECT 100 25 CONECT 101 26 CONECT 102 27 CONECT 103 28 CONECT 104 30 CONECT 105 31 CONECT 106 32 CONECT 107 33 CONECT 108 34 CONECT 109 38 CONECT 110 43 CONECT 111 53 CONECT 112 57 CONECT 113 57 CONECT 114 58 CONECT 115 58 CONECT 116 59 CONECT 117 59 CONECT 118 60 CONECT 119 62 CONECT 120 62 CONECT 121 64 CONECT 122 64 CONECT 123 66 CONECT 124 68 CONECT 125 69 CONECT 126 74 CONECT 127 78 CONECT 128 79 CONECT 129 80 CONECT 130 80 CONECT 131 82 CONECT 132 82 MASTER 0 0 0 0 0 0 0 0 132 0 284 0 END SMILES for NP0022372 (GE2270 D1)[H]O[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]1([H])N([H])C(=O)C([H])([H])N([H])C(=O)C2=C([H])SC(=N2)[C@@]([H])(N([H])C(=O)C2=C(SC(=N2)[C@@]([H])(N([H])C(=O)C2=C([H])SC(=N2)C2=C([H])C([H])=C(N=C2C2=C([H])SC(=N2)C2=C([H])SC1=N2)C1=NC(=C([H])S1)C1=N[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C(=O)N([H])[H])C([H])([H])O1)C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0022372 (GE2270 D1)InChI=1S/C53H49N15O9S6/c1-22(2)37-51-62-30(18-81-51)43(73)56-15-36(70)65-40(41(71)24-8-5-4-6-9-24)52-64-33(21-82-52)49-60-29(17-79-49)39-25(47-61-31(19-78-47)44(74)58-27(14-35(54)69)50-67-38(23(3)83-50)45(75)66-37)11-12-26(57-39)48-63-32(20-80-48)46-59-28(16-77-46)53(76)68-13-7-10-34(68)42(55)72/h4-6,8-9,11-12,17-22,27-28,34,37,40-41,71H,7,10,13-16H2,1-3H3,(H2,54,69)(H2,55,72)(H,56,73)(H,58,74)(H,65,70)(H,66,75)/t27-,28+,34+,37-,40-,41+/m0/s1 3D Structure for NP0022372 (GE2270 D1) | 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Synonyms |
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Chemical Formula | C53H49N15O9S6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1232.4300 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1231.21620 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-1-[(4R)-2-{2-[(18S,25S,35S)-18-(carbamoylmethyl)-35-[(R)-hydroxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-1-[(4R)-2-{2-[(18S,25S,35S)-18-(carbamoylmethyl)-35-[(R)-hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)C1NC(=O)C2=C(C)SC(=N2)C(CC(N)=O)NC(=O)C2=CSC(=N2)C2=C(N=C(C=C2)C2=NC(=CS2)C2=NC(CO2)C(=O)N2CCCC2C(N)=O)C2=CSC(=N2)C2=CSC(=N2)C(NC(=O)CNC(=O)C2=CSC1=N2)C(O)C1=CC=CC=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C53H49N15O9S6/c1-22(2)37-51-62-30(18-81-51)43(73)56-15-36(70)65-40(41(71)24-8-5-4-6-9-24)52-64-33(21-82-52)49-60-29(17-79-49)39-25(47-61-31(19-78-47)44(74)58-27(14-35(54)69)50-67-38(23(3)83-50)45(75)66-37)11-12-26(57-39)48-63-32(20-80-48)46-59-28(16-77-46)53(76)68-13-7-10-34(68)42(55)72/h4-6,8-9,11-12,17-22,27-28,34,37,40-41,71H,7,10,13-16H2,1-3H3,(H2,54,69)(H2,55,72)(H,56,73)(H,58,74)(H,65,70)(H,66,75) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | LJXRVDJXWYMJFF-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA010572 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 17302051 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 16145581 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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