Showing NP-Card for Streptocidin R (NP0018487)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 03:06:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:28:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0018487 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Streptocidin R | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Streptocidin R is found in Brevibacillus sp. Leaf182. It was first documented in 2018 (PMID: 30038309). Based on a literature review very few articles have been published on 3-[21-(4-aminobutyl)-27-benzyl-1,4,7,10,13,16,19,22,25-nonahydroxy-9-[(C-hydroxycarbonimidoyl)methyl]-15-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-3,24-bis(2-methylpropyl)-28-oxo-18-(propan-2-yl)-3H,6H,9H,12H,15H,18H,21H,24H,27H,28H,30H,31H,32H,32aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0018487 (Streptocidin R)
Mrv1652307042107413D
185190 0 0 0 0 999 V2000
6.0507 -2.0576 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2894 -2.2075 -2.3108 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3535 -2.2302 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 -0.9998 -2.1886 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5663 -0.9111 -0.9501 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3207 -0.9067 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7221 0.2381 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8382 0.0823 2.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 1.5820 0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4878 1.7357 0.1635 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2491 1.5696 1.4855 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7380 1.7377 1.2089 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4857 1.5685 2.5083 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1047 2.5238 3.5039 N 0 0 2 0 0 0 0 0 0 0 0 0
4.6655 2.5871 1.4216 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2335 3.9002 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3803 4.7818 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6262 4.3547 -0.1253 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6391 5.0533 -1.0191 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9407 5.5051 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2590 6.2643 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 5.3489 0.1978 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3068 5.0918 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 5.9558 1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5236 3.8757 0.2788 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6173 4.2195 -0.6328 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0638 4.8137 -1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1027 6.1787 -1.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 6.8067 -3.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9545 6.0551 -4.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 6.6856 -5.2986 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 4.7054 -4.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2945 4.0867 -2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1612 3.2212 1.5012 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8728 3.5141 2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 3.7059 3.6370 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3273 3.6322 2.0900 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8910 4.9973 2.3599 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8123 5.4542 3.7788 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.4203 6.8151 3.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5625 7.4322 5.0958 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 7.4177 2.8127 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0702 2.7187 2.9641 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9255 1.6841 2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7688 0.5323 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0141 1.7683 1.5621 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0749 2.6697 2.2428 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2326 2.8793 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3868 3.6115 1.7415 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2153 2.3784 0.2236 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5893 0.4608 1.3425 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7589 -0.2222 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9248 -0.6653 -0.1186 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9472 -1.3581 -2.0002 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0259 -1.1293 -2.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0123 -0.2721 -4.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1975 -0.2954 -4.6436 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0372 -1.1389 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3472 -1.5088 -4.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9918 -2.4310 -3.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2778 -2.9629 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8977 -4.1440 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0853 -5.2628 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3192 -1.6881 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -1.1734 -1.6712 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3607 -1.7865 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5241 -3.0222 -3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8734 -1.3260 -3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7661 -3.1596 -2.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2189 -3.0830 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3827 -2.4244 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4715 -1.2715 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7657 -0.8759 -3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0992 -0.1071 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 0.2216 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6251 -1.8333 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4048 1.7844 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6758 2.7755 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8625 0.9933 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9673 2.3746 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0700 0.5539 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9152 2.7950 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1188 0.9928 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5890 1.6449 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2900 0.5659 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3723 3.5001 3.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2586 2.2264 4.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7553 2.2755 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1851 3.4925 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4103 4.3488 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6869 5.8187 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3281 6.3872 -2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3072 4.6943 -2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9368 6.4517 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3780 6.1061 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1352 7.1726 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8851 6.3609 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2290 3.2217 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1609 6.8228 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 7.8794 -3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7802 6.9725 -5.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0689 4.1140 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1654 3.0135 -2.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 2.3851 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 3.2911 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4363 4.7966 4.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 5.5704 4.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 7.5086 5.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4748 7.8345 5.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.7077 2.2638 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.9142 3.3528 2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.9786 0.3011 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6527 -4.0702 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3319 -4.4679 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5201 -6.5077 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 -6.5487 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0005 -8.5048 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6802 -8.2443 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 -7.8933 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9446 -7.2545 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1746 -4.2799 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3472 -5.0172 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8520 -4.2397 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0953 -7.4190 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1235 -9.5057 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 -9.4185 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2980 -7.2267 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3255 -5.2227 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 -2.7926 0.5360 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
2 4 1 0 0 0 0
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29 30 2 0 0 0 0
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34 35 1 0 0 0 0
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87 88 2 0 0 0 0
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33 27 1 0 0 0 0
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80 76 1 0 0 0 0
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64 59 1 0 0 0 0
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1 96 1 0 0 0 0
2 97 1 6 0 0 0
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4101 1 0 0 0 0
4102 1 0 0 0 0
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6104 1 0 0 0 0
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10106 1 0 0 0 0
10107 1 0 0 0 0
11108 1 0 0 0 0
11109 1 0 0 0 0
12110 1 0 0 0 0
12111 1 0 0 0 0
13112 1 0 0 0 0
13113 1 0 0 0 0
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14115 1 0 0 0 0
15116 1 0 0 0 0
18117 1 6 0 0 0
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M END
3D MOL for NP0018487 (Streptocidin R)
RDKit 3D
185190 0 0 0 0 0 0 0 0999 V2000
6.0507 -2.0576 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2894 -2.2075 -2.3108 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3535 -2.2302 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 -0.9998 -2.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5663 -0.9111 -0.9501 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3207 -0.9067 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7221 0.2381 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8382 0.0823 2.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 1.5820 0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4878 1.7357 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.5696 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7380 1.7377 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4857 1.5685 2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1047 2.5238 3.5039 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 2.5871 1.4216 N 0 0 0 0 0 0 0 0 0 0 0 0
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91185 1 0
M END
3D SDF for NP0018487 (Streptocidin R)
Mrv1652307042107413D
185190 0 0 0 0 999 V2000
6.0507 -2.0576 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2894 -2.2075 -2.3108 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3535 -2.2302 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 -0.9998 -2.1886 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5663 -0.9111 -0.9501 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3207 -0.9067 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7221 0.2381 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8382 0.0823 2.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 1.5820 0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4878 1.7357 0.1635 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2491 1.5696 1.4855 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7380 1.7377 1.2089 C 0 0 2 0 0 0 0 0 0 0 0 0
9.4857 1.5685 2.5083 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1047 2.5238 3.5039 N 0 0 2 0 0 0 0 0 0 0 0 0
4.6655 2.5871 1.4216 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2335 3.9002 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3803 4.7818 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6262 4.3547 -0.1253 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6391 5.0533 -1.0191 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9407 5.5051 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2590 6.2643 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 5.3489 0.1978 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3068 5.0918 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 5.9558 1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7007 -7.7208 0.4869 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.2216 -5.8447 -0.5500 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2535 -5.0655 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2225 -5.1051 -2.4442 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3123 -4.2511 -0.5487 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0128 -4.8944 0.6594 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6029 -6.1772 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0103 -7.4054 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 -8.5472 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7721 -8.5113 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3606 -7.2816 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 -6.1272 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9578 -2.8708 -0.3018 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3192 -1.6881 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3535 -1.1734 -1.6712 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3607 -1.7865 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5241 -3.0222 -3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8734 -1.3260 -3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7661 -3.1596 -2.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2189 -3.0830 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3827 -2.4244 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4715 -1.2715 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7657 -0.8759 -3.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0992 -0.1071 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2222 0.2216 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6251 -1.8333 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4048 1.7844 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6758 2.7755 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8625 0.9933 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9673 2.3746 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0700 0.5539 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9152 2.7950 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1188 0.9928 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5890 1.6449 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2900 0.5659 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3723 3.5001 3.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2586 2.2264 4.4751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7553 2.2755 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1851 3.4925 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4103 4.3488 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6869 5.8187 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3281 6.3872 -2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3072 4.6943 -2.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9368 6.4517 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3780 6.1061 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1352 7.1726 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8851 6.3609 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2290 3.2217 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3147 4.9250 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1557 3.3007 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 6.8228 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 7.8794 -3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7802 6.9725 -5.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0689 4.1140 -4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1654 3.0135 -2.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 2.3851 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5592 3.2911 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3470 5.7946 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9374 5.0132 1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4363 4.7966 4.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 5.5704 4.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7493 7.5086 5.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4748 7.8345 5.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9091 2.8858 4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7077 2.2638 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6413 3.5457 2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4278 2.0189 3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6847 4.4003 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9142 3.3528 2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9424 -0.0464 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6650 0.5970 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1574 -2.3908 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9938 -1.5003 -2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1504 0.2999 -4.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5187 0.2375 -5.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
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-9.7950 -3.6994 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4355 -3.0366 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9786 0.3011 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1231 -3.0459 1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0403 -2.7771 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2695 -1.9028 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9662 -3.9259 3.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7954 -5.9355 2.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.1805 -4.3402 3.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7572 -3.7905 2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6527 -4.0702 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3319 -4.4679 1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5201 -6.5077 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2744 -6.5487 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0005 -8.5048 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6802 -8.2443 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 -7.8933 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9446 -7.2545 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1746 -4.2799 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3472 -5.0172 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8520 -4.2397 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0953 -7.4190 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1235 -9.5057 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 -9.4185 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2980 -7.2267 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3255 -5.2227 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 -2.7926 0.5360 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
2 4 1 0 0 0 0
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5 6 1 0 0 0 0
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68 69 1 0 0 0 0
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70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
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76 77 1 0 0 0 0
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78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 2 0 0 0 0
86 87 1 0 0 0 0
87 88 2 0 0 0 0
88 89 1 0 0 0 0
89 90 2 0 0 0 0
83 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
92 5 1 0 0 0 0
33 27 1 0 0 0 0
64 56 1 0 0 0 0
80 76 1 0 0 0 0
90 85 1 0 0 0 0
64 59 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
1 96 1 0 0 0 0
2 97 1 6 0 0 0
3 98 1 0 0 0 0
3 99 1 0 0 0 0
3100 1 0 0 0 0
4101 1 0 0 0 0
4102 1 0 0 0 0
5103 1 6 0 0 0
6104 1 0 0 0 0
9105 1 6 0 0 0
10106 1 0 0 0 0
10107 1 0 0 0 0
11108 1 0 0 0 0
11109 1 0 0 0 0
12110 1 0 0 0 0
12111 1 0 0 0 0
13112 1 0 0 0 0
13113 1 0 0 0 0
14114 1 0 0 0 0
14115 1 0 0 0 0
15116 1 0 0 0 0
18117 1 6 0 0 0
19118 1 6 0 0 0
20119 1 0 0 0 0
20120 1 0 0 0 0
20121 1 0 0 0 0
21122 1 0 0 0 0
21123 1 0 0 0 0
21124 1 0 0 0 0
22125 1 0 0 0 0
25126 1 6 0 0 0
26127 1 0 0 0 0
26128 1 0 0 0 0
28129 1 0 0 0 0
29130 1 0 0 0 0
31131 1 0 0 0 0
32132 1 0 0 0 0
33133 1 0 0 0 0
34134 1 0 0 0 0
37135 1 6 0 0 0
38136 1 0 0 0 0
38137 1 0 0 0 0
39138 1 0 0 0 0
39139 1 0 0 0 0
41140 1 0 0 0 0
41141 1 0 0 0 0
43142 1 0 0 0 0
46143 1 6 0 0 0
47144 1 0 0 0 0
47145 1 0 0 0 0
49146 1 0 0 0 0
49147 1 0 0 0 0
51148 1 0 0 0 0
54149 1 6 0 0 0
55150 1 0 0 0 0
55151 1 0 0 0 0
57152 1 0 0 0 0
58153 1 0 0 0 0
60154 1 0 0 0 0
61155 1 0 0 0 0
62156 1 0 0 0 0
63157 1 0 0 0 0
65158 1 0 0 0 0
68159 1 1 0 0 0
69160 1 0 0 0 0
69161 1 0 0 0 0
70162 1 1 0 0 0
71163 1 0 0 0 0
71164 1 0 0 0 0
71165 1 0 0 0 0
72166 1 0 0 0 0
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72168 1 0 0 0 0
73169 1 0 0 0 0
76170 1 1 0 0 0
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78173 1 0 0 0 0
78174 1 0 0 0 0
79175 1 0 0 0 0
79176 1 0 0 0 0
83177 1 6 0 0 0
84178 1 0 0 0 0
84179 1 0 0 0 0
86180 1 0 0 0 0
87181 1 0 0 0 0
88182 1 0 0 0 0
89183 1 0 0 0 0
90184 1 0 0 0 0
91185 1 0 0 0 0
M END
> <DATABASE_ID>
NP0018487
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C66H92N14O13/c1-36(2)29-47-60(87)78-52(32-39-15-8-7-9-16-39)66(93)80-28-14-20-53(80)64(91)77-48(30-37(3)4)59(86)75-50(33-41-35-70-44-18-11-10-17-43(41)44)61(88)76-51(34-55(69)83)62(89)71-46(25-26-54(68)82)58(85)74-49(31-40-21-23-42(81)24-22-40)63(90)79-56(38(5)6)65(92)72-45(57(84)73-47)19-12-13-27-67/h7-11,15-18,21-24,35-38,45-53,56,70,81H,12-14,19-20,25-34,67H2,1-6H3,(H2,68,82)(H2,69,83)(H,71,89)(H,72,92)(H,73,84)(H,74,85)(H,75,86)(H,76,88)(H,77,91)(H,78,87)(H,79,90)/t45-,46-,47-,48+,49-,50-,51-,52-,53+,56-/m0/s1
> <INCHI_KEY>
KLGUDDOVDXKDML-UHFFFAOYSA-N
> <FORMULA>
C66H92N14O13
> <MOLECULAR_WEIGHT>
1289.547
> <EXACT_MASS>
1288.696829078
> <JCHEM_ACCEPTOR_COUNT>
14
> <JCHEM_ATOM_COUNT>
185
> <JCHEM_AVERAGE_POLARIZABILITY>
138.69710776224943
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
3-[(3R,6S,9S,12S,15S,18S,21S,24S,27S,32aR)-21-(4-aminobutyl)-27-benzyl-9-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide
> <ALOGPS_LOGP>
1.84
> <JCHEM_LOGP>
-0.5229197114721047
> <ALOGPS_LOGS>
-4.87
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
11.545926725993988
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.420851903004142
> <JCHEM_PKA_STRONGEST_BASIC>
10.261972289783353
> <JCHEM_POLAR_SURFACE_AREA>
430.42999999999984
> <JCHEM_REFRACTIVITY>
341.71270000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
20
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.74e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
3-[(3R,6S,9S,12S,15S,18S,21S,24S,27S,32aR)-21-(4-aminobutyl)-27-benzyl-9-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-18-isopropyl-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-docosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0018487 (Streptocidin R)
RDKit 3D
185190 0 0 0 0 0 0 0 0999 V2000
6.0507 -2.0576 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2894 -2.2075 -2.3108 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3535 -2.2302 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4039 -0.9998 -2.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5663 -0.9111 -0.9501 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3207 -0.9067 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7221 0.2381 1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8382 0.0823 2.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 1.5820 0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4878 1.7357 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.5696 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7380 1.7377 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4857 1.5685 2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1047 2.5238 3.5039 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6655 2.5871 1.4216 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2335 3.9002 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3803 4.7818 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6262 4.3547 -0.1253 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6391 5.0533 -1.0191 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9407 5.5051 -2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2590 6.2643 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 5.3489 0.1978 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3068 5.0918 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 5.9558 1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5236 3.8757 0.2788 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6173 4.2195 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 4.8137 -1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1027 6.1787 -1.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6053 6.8067 -3.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9545 6.0551 -4.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 6.6856 -5.2986 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 4.7054 -4.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2945 4.0867 -2.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1612 3.2212 1.5012 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8728 3.5141 2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 3.7059 3.6370 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3273 3.6322 2.0900 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8910 4.9973 2.3599 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8123 5.4542 3.7788 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4203 6.8151 3.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5625 7.4322 5.0958 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 7.4177 2.8127 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0702 2.7187 2.9641 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9255 1.6841 2.5674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7688 0.5323 3.1219 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0141 1.7683 1.5621 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0749 2.6697 2.2428 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2326 2.8793 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0018487 (Streptocidin R)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 6.051 -2.058 -3.651 0.00 0.00 C+0 HETATM 2 C UNK 0 5.289 -2.208 -2.311 0.00 0.00 C+0 HETATM 3 C UNK 0 6.354 -2.230 -1.245 0.00 0.00 C+0 HETATM 4 C UNK 0 4.404 -1.000 -2.189 0.00 0.00 C+0 HETATM 5 C UNK 0 3.566 -0.911 -0.950 0.00 0.00 C+0 HETATM 6 N UNK 0 4.321 -0.907 0.276 0.00 0.00 N+0 HETATM 7 C UNK 0 4.722 0.238 1.012 0.00 0.00 C+0 HETATM 8 O UNK 0 4.838 0.082 2.288 0.00 0.00 O+0 HETATM 9 C UNK 0 5.014 1.582 0.433 0.00 0.00 C+0 HETATM 10 C UNK 0 6.488 1.736 0.164 0.00 0.00 C+0 HETATM 11 C UNK 0 7.249 1.570 1.486 0.00 0.00 C+0 HETATM 12 C UNK 0 8.738 1.738 1.209 0.00 0.00 C+0 HETATM 13 C UNK 0 9.486 1.569 2.508 0.00 0.00 C+0 HETATM 14 N UNK 0 9.105 2.524 3.504 0.00 0.00 N+0 HETATM 15 N UNK 0 4.665 2.587 1.422 0.00 0.00 N+0 HETATM 16 C UNK 0 4.234 3.900 1.137 0.00 0.00 C+0 HETATM 17 O UNK 0 4.380 4.782 2.060 0.00 0.00 O+0 HETATM 18 C UNK 0 3.626 4.355 -0.125 0.00 0.00 C+0 HETATM 19 C UNK 0 4.639 5.053 -1.019 0.00 0.00 C+0 HETATM 20 C UNK 0 3.941 5.505 -2.318 0.00 0.00 C+0 HETATM 21 C UNK 0 5.259 6.264 -0.412 0.00 0.00 C+0 HETATM 22 N UNK 0 2.624 5.349 0.198 0.00 0.00 N+0 HETATM 23 C UNK 0 1.307 5.092 0.627 0.00 0.00 C+0 HETATM 24 O UNK 0 0.724 5.956 1.373 0.00 0.00 O+0 HETATM 25 C UNK 0 0.524 3.876 0.279 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.617 4.220 -0.633 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.064 4.814 -1.880 0.00 0.00 C+0 HETATM 28 C UNK 0 0.103 6.179 -1.936 0.00 0.00 C+0 HETATM 29 C UNK 0 0.605 6.807 -3.056 0.00 0.00 C+0 HETATM 30 C UNK 0 0.955 6.055 -4.156 0.00 0.00 C+0 HETATM 31 O UNK 0 1.467 6.686 -5.299 0.00 0.00 O+0 HETATM 32 C UNK 0 0.801 4.705 -4.129 0.00 0.00 C+0 HETATM 33 C UNK 0 0.295 4.087 -2.996 0.00 0.00 C+0 HETATM 34 N UNK 0 0.161 3.221 1.501 0.00 0.00 N+0 HETATM 35 C UNK 0 -0.873 3.514 2.402 0.00 0.00 C+0 HETATM 36 O UNK 0 -0.581 3.706 3.637 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.327 3.632 2.090 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.891 4.997 2.360 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.812 5.454 3.779 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.420 6.815 3.836 0.00 0.00 C+0 HETATM 41 N UNK 0 -3.563 7.432 5.096 0.00 0.00 N+0 HETATM 42 O UNK 0 -3.803 7.418 2.813 0.00 0.00 O+0 HETATM 43 N UNK 0 -3.070 2.719 2.964 0.00 0.00 N+0 HETATM 44 C UNK 0 -3.926 1.684 2.567 0.00 0.00 C+0 HETATM 45 O UNK 0 -3.769 0.532 3.122 0.00 0.00 O+0 HETATM 46 C UNK 0 -5.014 1.768 1.562 0.00 0.00 C+0 HETATM 47 C UNK 0 -6.075 2.670 2.243 0.00 0.00 C+0 HETATM 48 C UNK 0 -7.233 2.879 1.377 0.00 0.00 C+0 HETATM 49 N UNK 0 -8.387 3.611 1.742 0.00 0.00 N+0 HETATM 50 O UNK 0 -7.215 2.378 0.224 0.00 0.00 O+0 HETATM 51 N UNK 0 -5.589 0.461 1.343 0.00 0.00 N+0 HETATM 52 C UNK 0 -5.759 -0.222 0.117 0.00 0.00 C+0 HETATM 53 O UNK 0 -6.925 -0.665 -0.119 0.00 0.00 O+0 HETATM 54 C UNK 0 -4.712 -0.448 -0.878 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.947 -1.358 -2.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.026 -1.129 -2.954 0.00 0.00 C+0 HETATM 57 C UNK 0 -6.012 -0.272 -4.051 0.00 0.00 C+0 HETATM 58 N UNK 0 -7.197 -0.295 -4.644 0.00 0.00 N+0 HETATM 59 C UNK 0 -8.037 -1.139 -3.999 0.00 0.00 C+0 HETATM 60 C UNK 0 -9.347 -1.509 -4.260 0.00 0.00 C+0 HETATM 61 C UNK 0 -9.992 -2.431 -3.469 0.00 0.00 C+0 HETATM 62 C UNK 0 -9.278 -2.963 -2.416 0.00 0.00 C+0 HETATM 63 C UNK 0 -7.980 -2.592 -2.160 0.00 0.00 C+0 HETATM 64 C UNK 0 -7.301 -1.656 -2.948 0.00 0.00 C+0 HETATM 65 N UNK 0 -3.395 -0.648 -0.243 0.00 0.00 N+0 HETATM 66 C UNK 0 -2.643 -1.761 -0.011 0.00 0.00 C+0 HETATM 67 O UNK 0 -1.505 -1.862 -0.627 0.00 0.00 O+0 HETATM 68 C UNK 0 -2.882 -2.964 0.870 0.00 0.00 C+0 HETATM 69 C UNK 0 -4.227 -2.868 1.522 0.00 0.00 C+0 HETATM 70 C UNK 0 -4.601 -3.940 2.485 0.00 0.00 C+0 HETATM 71 C UNK 0 -4.647 -5.294 1.857 0.00 0.00 C+0 HETATM 72 C UNK 0 -6.016 -3.674 3.046 0.00 0.00 C+0 HETATM 73 N UNK 0 -2.898 -4.144 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 -2.085 -5.263 0.029 0.00 0.00 C+0 HETATM 75 O UNK 0 -2.605 -6.361 -0.409 0.00 0.00 O+0 HETATM 76 C UNK 0 -0.679 -5.388 0.494 0.00 0.00 C+0 HETATM 77 C UNK 0 -0.619 -6.574 1.463 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.701 -7.721 0.487 0.00 0.00 C+0 HETATM 79 C UNK 0 -0.227 -7.228 -0.826 0.00 0.00 C+0 HETATM 80 N UNK 0 0.222 -5.845 -0.550 0.00 0.00 N+0 HETATM 81 C UNK 0 1.254 -5.066 -1.141 0.00 0.00 C+0 HETATM 82 O UNK 0 1.222 -5.105 -2.444 0.00 0.00 O+0 HETATM 83 C UNK 0 2.312 -4.251 -0.549 0.00 0.00 C+0 HETATM 84 C UNK 0 3.013 -4.894 0.659 0.00 0.00 C+0 HETATM 85 C UNK 0 3.603 -6.177 0.155 0.00 0.00 C+0 HETATM 86 C UNK 0 3.010 -7.405 0.328 0.00 0.00 C+0 HETATM 87 C UNK 0 3.587 -8.547 -0.193 0.00 0.00 C+0 HETATM 88 C UNK 0 4.772 -8.511 -0.904 0.00 0.00 C+0 HETATM 89 C UNK 0 5.361 -7.282 -1.074 0.00 0.00 C+0 HETATM 90 C UNK 0 4.779 -6.127 -0.548 0.00 0.00 C+0 HETATM 91 N UNK 0 1.958 -2.871 -0.302 0.00 0.00 N+0 HETATM 92 C UNK 0 2.319 -1.688 -0.941 0.00 0.00 C+0 HETATM 93 O UNK 0 1.353 -1.173 -1.671 0.00 0.00 O+0 HETATM 94 H UNK 0 5.361 -1.787 -4.473 0.00 0.00 H+0 HETATM 95 H UNK 0 6.524 -3.022 -3.932 0.00 0.00 H+0 HETATM 96 H UNK 0 6.873 -1.326 -3.523 0.00 0.00 H+0 HETATM 97 H UNK 0 4.766 -3.160 -2.422 0.00 0.00 H+0 HETATM 98 H UNK 0 6.219 -3.083 -0.533 0.00 0.00 H+0 HETATM 99 H UNK 0 7.383 -2.424 -1.677 0.00 0.00 H+0 HETATM 100 H UNK 0 6.471 -1.272 -0.704 0.00 0.00 H+0 HETATM 101 H UNK 0 3.766 -0.876 -3.118 0.00 0.00 H+0 HETATM 102 H UNK 0 5.099 -0.107 -2.278 0.00 0.00 H+0 HETATM 103 H UNK 0 3.222 0.222 -0.999 0.00 0.00 H+0 HETATM 104 H UNK 0 4.625 -1.833 0.713 0.00 0.00 H+0 HETATM 105 H UNK 0 4.405 1.784 -0.474 0.00 0.00 H+0 HETATM 106 H UNK 0 6.676 2.776 -0.221 0.00 0.00 H+0 HETATM 107 H UNK 0 6.862 0.993 -0.538 0.00 0.00 H+0 HETATM 108 H UNK 0 6.967 2.375 2.199 0.00 0.00 H+0 HETATM 109 H UNK 0 7.070 0.554 1.837 0.00 0.00 H+0 HETATM 110 H UNK 0 8.915 2.795 0.868 0.00 0.00 H+0 HETATM 111 H UNK 0 9.119 0.993 0.502 0.00 0.00 H+0 HETATM 112 H UNK 0 10.589 1.645 2.357 0.00 0.00 H+0 HETATM 113 H UNK 0 9.290 0.566 2.910 0.00 0.00 H+0 HETATM 114 H UNK 0 9.372 3.500 3.287 0.00 0.00 H+0 HETATM 115 H UNK 0 9.259 2.226 4.475 0.00 0.00 H+0 HETATM 116 H UNK 0 4.755 2.276 2.438 0.00 0.00 H+0 HETATM 117 H UNK 0 3.185 3.493 -0.688 0.00 0.00 H+0 HETATM 118 H UNK 0 5.410 4.349 -1.354 0.00 0.00 H+0 HETATM 119 H UNK 0 4.687 5.819 -3.064 0.00 0.00 H+0 HETATM 120 H UNK 0 3.328 6.387 -2.070 0.00 0.00 H+0 HETATM 121 H UNK 0 3.307 4.694 -2.697 0.00 0.00 H+0 HETATM 122 H UNK 0 4.937 6.452 0.619 0.00 0.00 H+0 HETATM 123 H UNK 0 6.378 6.106 -0.378 0.00 0.00 H+0 HETATM 124 H UNK 0 5.135 7.173 -1.055 0.00 0.00 H+0 HETATM 125 H UNK 0 2.885 6.361 0.111 0.00 0.00 H+0 HETATM 126 H UNK 0 1.229 3.222 -0.297 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.315 4.925 -0.151 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.156 3.301 -0.927 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.161 6.823 -1.082 0.00 0.00 H+0 HETATM 130 H UNK 0 0.724 7.879 -3.086 0.00 0.00 H+0 HETATM 131 H UNK 0 0.780 6.973 -5.983 0.00 0.00 H+0 HETATM 132 H UNK 0 1.069 4.114 -4.983 0.00 0.00 H+0 HETATM 133 H UNK 0 0.165 3.014 -2.954 0.00 0.00 H+0 HETATM 134 H UNK 0 0.777 2.385 1.772 0.00 0.00 H+0 HETATM 135 H UNK 0 -2.559 3.291 1.054 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.347 5.795 1.766 0.00 0.00 H+0 HETATM 137 H UNK 0 -3.937 5.013 1.989 0.00 0.00 H+0 HETATM 138 H UNK 0 -3.436 4.797 4.421 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.785 5.570 4.127 0.00 0.00 H+0 HETATM 140 H UNK 0 -2.749 7.509 5.736 0.00 0.00 H+0 HETATM 141 H UNK 0 -4.475 7.835 5.435 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.909 2.886 4.001 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.708 2.264 0.639 0.00 0.00 H+0 HETATM 144 H UNK 0 -5.641 3.546 2.712 0.00 0.00 H+0 HETATM 145 H UNK 0 -6.428 2.019 3.101 0.00 0.00 H+0 HETATM 146 H UNK 0 -8.685 4.400 1.136 0.00 0.00 H+0 HETATM 147 H UNK 0 -8.914 3.353 2.599 0.00 0.00 H+0 HETATM 148 H UNK 0 -5.942 -0.046 2.212 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.665 0.597 -1.409 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.157 -2.391 -1.559 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.994 -1.500 -2.627 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.150 0.300 -4.335 0.00 0.00 H+0 HETATM 153 H UNK 0 -7.519 0.238 -5.495 0.00 0.00 H+0 HETATM 154 H UNK 0 -9.887 -1.071 -5.102 0.00 0.00 H+0 HETATM 155 H UNK 0 -11.011 -2.726 -3.665 0.00 0.00 H+0 HETATM 156 H UNK 0 -9.795 -3.699 -1.784 0.00 0.00 H+0 HETATM 157 H UNK 0 -7.436 -3.037 -1.320 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.979 0.301 0.079 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.123 -3.046 1.655 0.00 0.00 H+0 HETATM 160 H UNK 0 -5.040 -2.777 0.734 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.269 -1.903 2.070 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.966 -3.926 3.408 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.795 -5.936 2.189 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.538 -5.848 2.323 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.852 -5.330 0.790 0.00 0.00 H+0 HETATM 166 H UNK 0 -6.010 -2.589 3.311 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.181 -4.340 3.888 0.00 0.00 H+0 HETATM 168 H UNK 0 -6.757 -3.791 2.207 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.653 -4.070 -0.751 0.00 0.00 H+0 HETATM 170 H UNK 0 -0.332 -4.468 1.001 0.00 0.00 H+0 HETATM 171 H UNK 0 -1.520 -6.508 2.104 0.00 0.00 H+0 HETATM 172 H UNK 0 0.274 -6.549 2.081 0.00 0.00 H+0 HETATM 173 H UNK 0 -0.001 -8.505 0.911 0.00 0.00 H+0 HETATM 174 H UNK 0 -1.680 -8.244 0.486 0.00 0.00 H+0 HETATM 175 H UNK 0 0.597 -7.893 -1.161 0.00 0.00 H+0 HETATM 176 H UNK 0 -0.945 -7.255 -1.666 0.00 0.00 H+0 HETATM 177 H UNK 0 3.175 -4.280 -1.304 0.00 0.00 H+0 HETATM 178 H UNK 0 2.347 -5.017 1.506 0.00 0.00 H+0 HETATM 179 H UNK 0 3.852 -4.240 0.906 0.00 0.00 H+0 HETATM 180 H UNK 0 2.095 -7.419 0.888 0.00 0.00 H+0 HETATM 181 H UNK 0 3.123 -9.506 -0.057 0.00 0.00 H+0 HETATM 182 H UNK 0 5.229 -9.418 -1.319 0.00 0.00 H+0 HETATM 183 H UNK 0 6.298 -7.227 -1.633 0.00 0.00 H+0 HETATM 184 H UNK 0 5.325 -5.223 -0.746 0.00 0.00 H+0 HETATM 185 H UNK 0 1.272 -2.793 0.536 0.00 0.00 H+0 CONECT 1 2 94 95 96 CONECT 2 1 3 4 97 CONECT 3 2 98 99 100 CONECT 4 2 5 101 102 CONECT 5 4 6 92 103 CONECT 6 5 7 104 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 15 105 CONECT 10 9 11 106 107 CONECT 11 10 12 108 109 CONECT 12 11 13 110 111 CONECT 13 12 14 112 113 CONECT 14 13 114 115 CONECT 15 9 16 116 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 22 117 CONECT 19 18 20 21 118 CONECT 20 19 119 120 121 CONECT 21 19 122 123 124 CONECT 22 18 23 125 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 34 126 CONECT 26 25 27 127 128 CONECT 27 26 28 33 CONECT 28 27 29 129 CONECT 29 28 30 130 CONECT 30 29 31 32 CONECT 31 30 131 CONECT 32 30 33 132 CONECT 33 32 27 133 CONECT 34 25 35 134 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 43 135 CONECT 38 37 39 136 137 CONECT 39 38 40 138 139 CONECT 40 39 41 42 CONECT 41 40 140 141 CONECT 42 40 CONECT 43 37 44 142 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 51 143 CONECT 47 46 48 144 145 CONECT 48 47 49 50 CONECT 49 48 146 147 CONECT 50 48 CONECT 51 46 52 148 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 65 149 CONECT 55 54 56 150 151 CONECT 56 55 57 64 CONECT 57 56 58 152 CONECT 58 57 59 153 CONECT 59 58 60 64 CONECT 60 59 61 154 CONECT 61 60 62 155 CONECT 62 61 63 156 CONECT 63 62 64 157 CONECT 64 63 56 59 CONECT 65 54 66 158 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 73 159 CONECT 69 68 70 160 161 CONECT 70 69 71 72 162 CONECT 71 70 163 164 165 CONECT 72 70 166 167 168 CONECT 73 68 74 169 CONECT 74 73 75 76 CONECT 75 74 CONECT 76 74 77 80 170 CONECT 77 76 78 171 172 CONECT 78 77 79 173 174 CONECT 79 78 80 175 176 CONECT 80 79 81 76 CONECT 81 80 82 83 CONECT 82 81 CONECT 83 81 84 91 177 CONECT 84 83 85 178 179 CONECT 85 84 86 90 CONECT 86 85 87 180 CONECT 87 86 88 181 CONECT 88 87 89 182 CONECT 89 88 90 183 CONECT 90 89 85 184 CONECT 91 83 92 185 CONECT 92 91 93 5 CONECT 93 92 CONECT 94 1 CONECT 95 1 CONECT 96 1 CONECT 97 2 CONECT 98 3 CONECT 99 3 CONECT 100 3 CONECT 101 4 CONECT 102 4 CONECT 103 5 CONECT 104 6 CONECT 105 9 CONECT 106 10 CONECT 107 10 CONECT 108 11 CONECT 109 11 CONECT 110 12 CONECT 111 12 CONECT 112 13 CONECT 113 13 CONECT 114 14 CONECT 115 14 CONECT 116 15 CONECT 117 18 CONECT 118 19 CONECT 119 20 CONECT 120 20 CONECT 121 20 CONECT 122 21 CONECT 123 21 CONECT 124 21 CONECT 125 22 CONECT 126 25 CONECT 127 26 CONECT 128 26 CONECT 129 28 CONECT 130 29 CONECT 131 31 CONECT 132 32 CONECT 133 33 CONECT 134 34 CONECT 135 37 CONECT 136 38 CONECT 137 38 CONECT 138 39 CONECT 139 39 CONECT 140 41 CONECT 141 41 CONECT 142 43 CONECT 143 46 CONECT 144 47 CONECT 145 47 CONECT 146 49 CONECT 147 49 CONECT 148 51 CONECT 149 54 CONECT 150 55 CONECT 151 55 CONECT 152 57 CONECT 153 58 CONECT 154 60 CONECT 155 61 CONECT 156 62 CONECT 157 63 CONECT 158 65 CONECT 159 68 CONECT 160 69 CONECT 161 69 CONECT 162 70 CONECT 163 71 CONECT 164 71 CONECT 165 71 CONECT 166 72 CONECT 167 72 CONECT 168 72 CONECT 169 73 CONECT 170 76 CONECT 171 77 CONECT 172 77 CONECT 173 78 CONECT 174 78 CONECT 175 79 CONECT 176 79 CONECT 177 83 CONECT 178 84 CONECT 179 84 CONECT 180 86 CONECT 181 87 CONECT 182 88 CONECT 183 89 CONECT 184 90 CONECT 185 91 MASTER 0 0 0 0 0 0 0 0 185 0 380 0 END SMILES for NP0018487 (Streptocidin R)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0018487 (Streptocidin R)InChI=1S/C66H92N14O13/c1-36(2)29-47-60(87)78-52(32-39-15-8-7-9-16-39)66(93)80-28-14-20-53(80)64(91)77-48(30-37(3)4)59(86)75-50(33-41-35-70-44-18-11-10-17-43(41)44)61(88)76-51(34-55(69)83)62(89)71-46(25-26-54(68)82)58(85)74-49(31-40-21-23-42(81)24-22-40)63(90)79-56(38(5)6)65(92)72-45(57(84)73-47)19-12-13-27-67/h7-11,15-18,21-24,35-38,45-53,56,70,81H,12-14,19-20,25-34,67H2,1-6H3,(H2,68,82)(H2,69,83)(H,71,89)(H,72,92)(H,73,84)(H,74,85)(H,75,86)(H,76,88)(H,77,91)(H,78,87)(H,79,90)/t45-,46-,47-,48+,49-,50-,51-,52-,53+,56-/m0/s1 3D Structure for NP0018487 (Streptocidin R) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C66H92N14O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1289.5470 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1288.69683 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 3-[(3R,6S,9S,12S,15S,18S,21S,24S,27S,32aR)-21-(4-aminobutyl)-27-benzyl-9-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 3-[(3R,6S,9S,12S,15S,18S,21S,24S,27S,32aR)-21-(4-aminobutyl)-27-benzyl-9-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-18-isopropyl-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-docosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CC1NC(=O)C2CCCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC2=CNC3=CC=CC=C23)NC1=O)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C66H92N14O13/c1-36(2)29-47-60(87)78-52(32-39-15-8-7-9-16-39)66(93)80-28-14-20-53(80)64(91)77-48(30-37(3)4)59(86)75-50(33-41-35-70-44-18-11-10-17-43(41)44)61(88)76-51(34-55(69)83)62(89)71-46(25-26-54(68)82)58(85)74-49(31-40-21-23-42(81)24-22-40)63(90)79-56(38(5)6)65(92)72-45(57(84)73-47)19-12-13-27-67/h7-11,15-18,21-24,35-38,45-53,56,70,81H,12-14,19-20,25-34,67H2,1-6H3,(H2,68,82)(H2,69,83)(H,71,89)(H,72,92)(H,73,84)(H,74,85)(H,75,86)(H,76,88)(H,77,91)(H,78,87)(H,79,90) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KLGUDDOVDXKDML-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 | NPA028520 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146684625 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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