Showing NP-Card for Feglymycin (NP0001714)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-09-29 17:14:57 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0001714 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Feglymycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Feglymycin is found in Streptomyces sp. DSM 11171. It was first documented in 1999 (PMID: 10395273). Based on a literature review very few articles have been published on 2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-amino-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene}amino)-1-hydroxy-2-(4-hydroxyphenyl)ethylidene]amino}-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-2-(3,5-dihydroxyphenyl)-1-hydroxyethylidene]amino}-1-hydroxy-2-(4-hydroxyphenyl)ethylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)butanedioic acid (PMID: 32655512) (PMID: 27892469) (PMID: 26620564) (PMID: 26515424). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0001714 (Feglymycin)
Mrv1652307012117053D
235244 0 0 0 0 999 V2000
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M END
3D MOL for NP0001714 (Feglymycin)
RDKit 3D
235244 0 0 0 0 0 0 0 0999 V2000
4.7891 4.5191 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 4.8916 -0.1597 C 0 0 1 0 0 0 0 0 0 0 0 0
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3.8854 6.3535 -4.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2064 4.9270 -4.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 1 0
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6 8 1 0
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10 12 1 0
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17 18 1 0
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8 21 1 0
21 22 2 0
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25 26 1 0
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4 29 1 0
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29 31 1 0
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56 90 1 0
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105106 1 0
106107 1 0
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44109 1 0
109110 2 0
110111 1 0
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40116 1 0
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32131 1 0
131132 2 0
132133 1 0
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20 14 1 0
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71 66 1 0
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108101 1 0
115109 1 0
123116 1 0
130124 1 0
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135233 1 0
137234 1 0
138235 1 0
M END
3D SDF for NP0001714 (Feglymycin)
Mrv1652307012117053D
235244 0 0 0 0 999 V2000
4.7891 4.5191 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 4.8916 -0.1597 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2762 5.6392 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5884 4.0221 -0.3056 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7123 4.1403 0.9775 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 3.4053 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 2.6848 -0.2825 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6501 3.4212 1.6216 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7137 3.9175 0.6517 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7781 4.4846 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 4.2848 2.5819 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6804 5.3403 0.6502 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9913 5.1804 -0.6869 N 0 0 1 0 0 0 0 0 0 0 0 0
-4.5572 6.1924 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8701 5.7946 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8024 6.5315 3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3515 7.6544 2.8839 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3320 8.4115 3.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0152 8.0579 1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0999 7.2726 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 2.5965 2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3808 1.2481 2.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 0.5343 3.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1202 -0.8205 3.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 1.1108 4.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8092 2.4323 4.9608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 3.0700 6.2048 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 3.1669 3.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 4.4661 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 5.4831 -0.9739 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2213 3.6747 -2.4024 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 4.1634 -3.0463 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7953 3.2961 -3.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 3.4245 -4.9357 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9916 -3.1326 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.3952 -4.3373 1.0418 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1160 -4.8412 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6006 -5.7435 0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4647 -4.2384 2.4482 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -4.6628 2.7892 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6554 -3.7762 3.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 -3.2609 4.6274 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9762 -3.5972 3.3366 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -2.9955 4.0106 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7270 -1.4894 4.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -0.9775 4.0372 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 -0.6694 4.2354 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0237 0.7042 4.1723 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5857 0.9894 2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 2.0209 2.5392 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9989 -0.0480 1.8984 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2754 -0.7196 0.7699 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5610 -1.1853 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 -1.3515 -0.5439 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4847 -1.3859 -1.4444 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1817 -1.7441 -2.8858 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7933 -2.0002 -2.9844 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4458 -1.9832 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 -3.0022 -5.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8078 -2.7173 -6.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 -1.4653 -7.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2608 -0.4003 -6.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -0.6701 -4.9737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 -2.7597 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3556 -2.6815 -3.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 -3.9499 -2.0641 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0671 -4.7296 -1.6173 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6066 -6.0203 -1.8380 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8982 -6.0708 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2783 -7.1490 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5269 -4.8624 -0.6973 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7507 -4.6974 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -4.8840 0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6512 -4.4894 0.8976 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3633 0.2098 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5997 0.1864 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6178 0.9242 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2231 1.5358 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2193 2.2099 -1.9257 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9532 1.5090 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9676 0.8244 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3708 1.6909 5.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 2.9324 4.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2206 3.7928 5.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8711 5.0222 4.7113 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7477 3.4113 6.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 2.1661 6.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5944 1.7652 8.1765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8597 1.3117 6.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 -3.6719 5.2826 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1765 -5.1507 4.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6724 -3.2141 6.5062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4751 -4.9021 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -4.0496 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4216 -4.3261 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 -3.4310 -1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1205 -5.4588 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5364 -6.3116 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2241 -7.4215 -0.6247 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2086 -6.0437 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3127 -5.1774 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9772 -5.4803 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9827 -5.9213 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2661 -6.0825 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.0932 -1.9215 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2317 0.3709 -4.7281 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4846 0.6131 -5.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0496 -0.2621 -6.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4007 -1.4149 -6.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0240 -2.3390 -7.4203 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1961 -1.6697 -5.9738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 -0.8273 -5.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 5.5639 -3.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 6.5745 -3.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0873 7.8631 -3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9018 8.9550 -3.1586 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 8.1032 -3.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0195 7.0643 -4.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3050 7.1673 -4.6263 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5401 5.7763 -3.9113 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7029 4.2360 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0616 5.3257 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4836 3.5640 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1873 5.8514 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4650 5.9917 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0550 5.1553 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7171 6.6230 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 2.9224 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 4.6676 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4760 9.2742 -3.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5538 9.0881 -4.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8854 6.3535 -4.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2064 4.9270 -4.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
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71 66 1 0 0 0 0
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15153 1 0 0 0 0
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19156 1 0 0 0 0
20157 1 0 0 0 0
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24159 1 0 0 0 0
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27161 1 0 0 0 0
28162 1 0 0 0 0
31163 1 0 0 0 0
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129229 1 0 0 0 0
130230 1 0 0 0 0
132231 1 0 0 0 0
134232 1 0 0 0 0
135233 1 0 0 0 0
137234 1 0 0 0 0
138235 1 0 0 0 0
M END
> <DATABASE_ID>
NP0001714
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])[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@]([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@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)/t69-,70-,72+,73-,74-,75-,76+,77+,78+,79+,80-,81+,82+/m1/s1
> <INCHI_KEY>
QJQKBRUTBCTBKE-UHFFFAOYSA-N
> <FORMULA>
C95H97N13O30
> <MOLECULAR_WEIGHT>
1900.882
> <EXACT_MASS>
1899.646428775
> <JCHEM_ACCEPTOR_COUNT>
31
> <JCHEM_ATOM_COUNT>
235
> <JCHEM_AVERAGE_POLARIZABILITY>
187.36521126047808
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
29
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2R)-2-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido}-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido}-2-(4-hydroxyphenyl)acetamido)-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido]-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-3-phenylpropanamido]butanedioic acid
> <ALOGPS_LOGP>
3.24
> <JCHEM_LOGP>
1.4838524763846266
> <ALOGPS_LOGS>
-5.01
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
4.9812830129580306
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.230445847732599
> <JCHEM_PKA_STRONGEST_BASIC>
7.212567702519581
> <JCHEM_POLAR_SURFACE_AREA>
733.04
> <JCHEM_REFRACTIVITY>
483.2203000000003
> <JCHEM_ROTATABLE_BOND_COUNT>
40
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.86e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2R)-2-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido}-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido}-2-(4-hydroxyphenyl)acetamido)-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido]-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-3-phenylpropanamido]butanedioic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0001714 (Feglymycin)
RDKit 3D
235244 0 0 0 0 0 0 0 0999 V2000
4.7891 4.5191 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 4.8916 -0.1597 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2762 5.6392 -1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5884 4.0221 -0.3056 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7123 4.1403 0.9775 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5366 3.4053 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 2.6848 -0.2825 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6501 3.4212 1.6216 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7137 3.9175 0.6517 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7781 4.4846 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 4.2848 2.5819 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6804 5.3403 0.6502 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.9913 5.1804 -0.6869 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5572 6.1924 1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8701 5.7946 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8024 6.5315 3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3515 7.6544 2.8839 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3320 8.4115 3.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0152 8.0579 1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0999 7.2726 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 2.5965 2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3808 1.2481 2.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 0.5343 3.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1202 -0.8205 3.4091 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 1.1108 4.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8092 2.4323 4.9608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 3.0700 6.2048 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 3.1669 3.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 4.4661 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 5.4831 -0.9739 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2213 3.6747 -2.4024 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 4.1634 -3.0463 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7953 3.2961 -3.8391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 3.4245 -4.9357 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9990 2.0020 -3.1598 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8978 1.0647 -3.5458 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1734 0.1669 -2.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2452 -0.1584 -1.5700 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5038 -0.2671 -2.0569 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8438 -1.0286 -0.9465 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7343 -2.5798 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9916 -3.1326 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3807 -3.0155 0.4046 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3952 -4.3373 1.0418 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1160 -4.8412 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6006 -5.7435 0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4647 -4.2384 2.4482 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -4.6628 2.7892 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6554 -3.7762 3.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 -3.2609 4.6274 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9762 -3.5972 3.3366 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0709 -2.9955 4.0106 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7270 -1.4894 4.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5926 -0.9775 4.0372 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 -0.6694 4.2354 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0237 0.7042 4.1723 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5857 0.9894 2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0291 2.0209 2.5392 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9989 -0.0480 1.8984 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2754 -0.7196 0.7699 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5610 -1.1853 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 -1.3515 -0.5439 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4847 -1.3859 -1.4444 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1817 -1.7441 -2.8858 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7933 -2.0002 -2.9844 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4458 -1.9832 -4.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0856 -3.0022 -5.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8078 -2.7173 -6.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8852 -1.4653 -7.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2608 -0.4003 -6.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -0.6701 -4.9737 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2890 -2.7597 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3556 -2.6815 -3.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 -3.9499 -2.0641 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0671 -4.7296 -1.6173 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6066 -6.0203 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8982 -6.0708 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2783 -7.1490 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5269 -4.8624 -0.6973 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7507 -4.6974 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4796 -4.8840 0.1297 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6512 -4.4894 0.8976 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3633 0.2098 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5997 0.1864 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6178 0.9242 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2231 1.5358 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2193 2.2099 -1.9257 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9532 1.5090 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9676 0.8244 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3708 1.6909 5.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 2.9324 4.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2206 3.7928 5.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8711 5.0222 4.7113 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7477 3.4113 6.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 2.1661 6.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5944 1.7652 8.1765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8597 1.3117 6.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 -3.6719 5.2826 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1765 -5.1507 4.8997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6724 -3.2141 6.5062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4751 -4.9021 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -4.0496 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4216 -4.3261 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 -3.4310 -1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1205 -5.4588 -1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5364 -6.3116 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2241 -7.4215 -0.6247 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2086 -6.0437 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3127 -5.1774 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9772 -5.4803 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9827 -5.9213 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2661 -6.0825 -1.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3012 -6.5071 -2.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5935 -5.8242 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6240 -5.3896 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2259 -0.8361 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6959 0.3239 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9303 0.3268 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3770 1.5010 1.4447 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7444 -0.7701 0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3242 -1.9285 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0799 -3.0764 0.2832 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0932 -1.9215 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0001714 (Feglymycin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 4.789 4.519 0.818 0.00 0.00 C+0 HETATM 2 C UNK 0 3.720 4.892 -0.160 0.00 0.00 C+0 HETATM 3 C UNK 0 4.276 5.639 -1.321 0.00 0.00 C+0 HETATM 4 C UNK 0 2.588 4.022 -0.306 0.00 0.00 C+0 HETATM 5 N UNK 0 1.712 4.140 0.978 0.00 0.00 N+0 HETATM 6 C UNK 0 0.537 3.405 0.763 0.00 0.00 C+0 HETATM 7 O UNK 0 0.406 2.685 -0.283 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.650 3.421 1.622 0.00 0.00 C+0 HETATM 9 N UNK 0 -1.714 3.918 0.652 0.00 0.00 N+0 HETATM 10 C UNK 0 -2.778 4.485 1.379 0.00 0.00 C+0 HETATM 11 O UNK 0 -2.840 4.285 2.582 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.680 5.340 0.650 0.00 0.00 C+0 HETATM 13 N UNK 0 -3.991 5.180 -0.687 0.00 0.00 N+0 HETATM 14 C UNK 0 -4.557 6.192 1.540 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.870 5.795 2.780 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.802 6.532 3.471 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.351 7.654 2.884 0.00 0.00 C+0 HETATM 18 O UNK 0 -7.332 8.412 3.562 0.00 0.00 O+0 HETATM 19 C UNK 0 -6.015 8.058 1.606 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.100 7.273 0.921 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.086 2.596 2.675 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.381 1.248 2.511 0.00 0.00 C+0 HETATM 23 C UNK 0 -1.837 0.534 3.575 0.00 0.00 C+0 HETATM 24 O UNK 0 -2.120 -0.821 3.409 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.070 1.111 4.787 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.809 2.432 4.961 0.00 0.00 C+0 HETATM 27 O UNK 0 -1.981 3.070 6.205 0.00 0.00 O+0 HETATM 28 C UNK 0 -1.300 3.167 3.927 0.00 0.00 C+0 HETATM 29 C UNK 0 1.503 4.466 -1.215 0.00 0.00 C+0 HETATM 30 O UNK 0 0.841 5.483 -0.974 0.00 0.00 O+0 HETATM 31 N UNK 0 1.221 3.675 -2.402 0.00 0.00 N+0 HETATM 32 C UNK 0 -0.017 4.163 -3.046 0.00 0.00 C+0 HETATM 33 C UNK 0 -0.795 3.296 -3.839 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.372 3.425 -4.936 0.00 0.00 O+0 HETATM 35 N UNK 0 -0.999 2.002 -3.160 0.00 0.00 N+0 HETATM 36 C UNK 0 -1.898 1.065 -3.546 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.173 0.167 -2.306 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.245 -0.158 -1.570 0.00 0.00 O+0 HETATM 39 N UNK 0 -3.504 -0.267 -2.057 0.00 0.00 N+0 HETATM 40 C UNK 0 -3.844 -1.029 -0.947 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.734 -2.580 -0.885 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.992 -3.133 -1.928 0.00 0.00 O+0 HETATM 43 N UNK 0 -3.381 -3.015 0.405 0.00 0.00 N+0 HETATM 44 C UNK 0 -3.395 -4.337 1.042 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.116 -4.841 1.325 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.601 -5.744 0.645 0.00 0.00 O+0 HETATM 47 N UNK 0 -1.465 -4.238 2.448 0.00 0.00 N+0 HETATM 48 C UNK 0 -0.124 -4.663 2.789 0.00 0.00 C+0 HETATM 49 C UNK 0 0.655 -3.776 3.615 0.00 0.00 C+0 HETATM 50 O UNK 0 0.064 -3.261 4.627 0.00 0.00 O+0 HETATM 51 N UNK 0 1.976 -3.597 3.337 0.00 0.00 N+0 HETATM 52 C UNK 0 3.071 -2.995 4.011 0.00 0.00 C+0 HETATM 53 C UNK 0 2.727 -1.489 4.117 0.00 0.00 C+0 HETATM 54 O UNK 0 1.593 -0.978 4.037 0.00 0.00 O+0 HETATM 55 N UNK 0 3.899 -0.669 4.235 0.00 0.00 N+0 HETATM 56 C UNK 0 4.024 0.704 4.172 0.00 0.00 C+0 HETATM 57 C UNK 0 3.586 0.989 2.639 0.00 0.00 C+0 HETATM 58 O UNK 0 3.029 2.021 2.539 0.00 0.00 O+0 HETATM 59 N UNK 0 3.999 -0.048 1.898 0.00 0.00 N+0 HETATM 60 C UNK 0 4.275 -0.720 0.770 0.00 0.00 C+0 HETATM 61 C UNK 0 3.561 -1.185 -0.396 0.00 0.00 C+0 HETATM 62 O UNK 0 2.366 -1.351 -0.544 0.00 0.00 O+0 HETATM 63 N UNK 0 4.485 -1.386 -1.444 0.00 0.00 N+0 HETATM 64 C UNK 0 4.182 -1.744 -2.886 0.00 0.00 C+0 HETATM 65 C UNK 0 2.793 -2.000 -2.984 0.00 0.00 C+0 HETATM 66 C UNK 0 2.446 -1.983 -4.439 0.00 0.00 C+0 HETATM 67 C UNK 0 2.086 -3.002 -5.219 0.00 0.00 C+0 HETATM 68 C UNK 0 1.808 -2.717 -6.550 0.00 0.00 C+0 HETATM 69 C UNK 0 1.885 -1.465 -7.103 0.00 0.00 C+0 HETATM 70 C UNK 0 2.261 -0.400 -6.282 0.00 0.00 C+0 HETATM 71 C UNK 0 2.521 -0.670 -4.974 0.00 0.00 C+0 HETATM 72 C UNK 0 5.289 -2.760 -2.882 0.00 0.00 C+0 HETATM 73 O UNK 0 6.356 -2.682 -3.390 0.00 0.00 O+0 HETATM 74 N UNK 0 4.987 -3.950 -2.064 0.00 0.00 N+0 HETATM 75 C UNK 0 6.067 -4.730 -1.617 0.00 0.00 C+0 HETATM 76 C UNK 0 6.607 -6.020 -1.838 0.00 0.00 C+0 HETATM 77 C UNK 0 7.898 -6.071 -0.974 0.00 0.00 C+0 HETATM 78 O UNK 0 8.278 -7.149 -0.512 0.00 0.00 O+0 HETATM 79 O UNK 0 8.527 -4.862 -0.697 0.00 0.00 O+0 HETATM 80 C UNK 0 5.751 -4.697 -0.071 0.00 0.00 C+0 HETATM 81 O UNK 0 4.480 -4.884 0.130 0.00 0.00 O+0 HETATM 82 O UNK 0 6.651 -4.489 0.898 0.00 0.00 O+0 HETATM 83 C UNK 0 5.363 0.210 0.132 0.00 0.00 C+0 HETATM 84 C UNK 0 6.600 0.186 0.662 0.00 0.00 C+0 HETATM 85 C UNK 0 7.618 0.924 -0.047 0.00 0.00 C+0 HETATM 86 C UNK 0 7.223 1.536 -1.212 0.00 0.00 C+0 HETATM 87 O UNK 0 8.219 2.210 -1.926 0.00 0.00 O+0 HETATM 88 C UNK 0 5.953 1.509 -1.730 0.00 0.00 C+0 HETATM 89 C UNK 0 4.968 0.824 -1.026 0.00 0.00 C+0 HETATM 90 C UNK 0 3.371 1.691 5.008 0.00 0.00 C+0 HETATM 91 C UNK 0 3.025 2.932 4.521 0.00 0.00 C+0 HETATM 92 C UNK 0 2.221 3.793 5.229 0.00 0.00 C+0 HETATM 93 O UNK 0 1.871 5.022 4.711 0.00 0.00 O+0 HETATM 94 C UNK 0 1.748 3.411 6.452 0.00 0.00 C+0 HETATM 95 C UNK 0 2.068 2.166 6.942 0.00 0.00 C+0 HETATM 96 O UNK 0 1.594 1.765 8.177 0.00 0.00 O+0 HETATM 97 C UNK 0 2.860 1.312 6.222 0.00 0.00 C+0 HETATM 98 C UNK 0 3.267 -3.672 5.283 0.00 0.00 C+0 HETATM 99 C UNK 0 3.176 -5.151 4.900 0.00 0.00 C+0 HETATM 100 C UNK 0 2.672 -3.214 6.506 0.00 0.00 C+0 HETATM 101 C UNK 0 0.475 -4.902 1.363 0.00 0.00 C+0 HETATM 102 C UNK 0 0.134 -4.050 0.356 0.00 0.00 C+0 HETATM 103 C UNK 0 0.422 -4.326 -0.932 0.00 0.00 C+0 HETATM 104 O UNK 0 -0.008 -3.431 -1.956 0.00 0.00 O+0 HETATM 105 C UNK 0 1.121 -5.459 -1.259 0.00 0.00 C+0 HETATM 106 C UNK 0 1.536 -6.312 -0.231 0.00 0.00 C+0 HETATM 107 O UNK 0 2.224 -7.422 -0.625 0.00 0.00 O+0 HETATM 108 C UNK 0 1.209 -6.044 1.103 0.00 0.00 C+0 HETATM 109 C UNK 0 -4.313 -5.177 0.188 0.00 0.00 C+0 HETATM 110 C UNK 0 -3.977 -5.480 -1.106 0.00 0.00 C+0 HETATM 111 C UNK 0 -4.983 -5.921 -1.982 0.00 0.00 C+0 HETATM 112 C UNK 0 -6.266 -6.082 -1.545 0.00 0.00 C+0 HETATM 113 O UNK 0 -7.301 -6.507 -2.420 0.00 0.00 O+0 HETATM 114 C UNK 0 -6.593 -5.824 -0.218 0.00 0.00 C+0 HETATM 115 C UNK 0 -5.624 -5.390 0.631 0.00 0.00 C+0 HETATM 116 C UNK 0 -5.226 -0.836 -0.392 0.00 0.00 C+0 HETATM 117 C UNK 0 -5.696 0.324 0.184 0.00 0.00 C+0 HETATM 118 C UNK 0 -6.930 0.327 0.814 0.00 0.00 C+0 HETATM 119 O UNK 0 -7.377 1.501 1.445 0.00 0.00 O+0 HETATM 120 C UNK 0 -7.744 -0.770 0.877 0.00 0.00 C+0 HETATM 121 C UNK 0 -7.324 -1.929 0.265 0.00 0.00 C+0 HETATM 122 O UNK 0 -8.080 -3.076 0.283 0.00 0.00 O+0 HETATM 123 C UNK 0 -6.093 -1.922 -0.345 0.00 0.00 C+0 HETATM 124 C UNK 0 -2.232 0.371 -4.728 0.00 0.00 C+0 HETATM 125 C UNK 0 -3.485 0.613 -5.349 0.00 0.00 C+0 HETATM 126 C UNK 0 -4.050 -0.262 -6.212 0.00 0.00 C+0 HETATM 127 C UNK 0 -3.401 -1.415 -6.540 0.00 0.00 C+0 HETATM 128 O UNK 0 -4.024 -2.339 -7.420 0.00 0.00 O+0 HETATM 129 C UNK 0 -2.196 -1.670 -5.974 0.00 0.00 C+0 HETATM 130 C UNK 0 -1.570 -0.827 -5.036 0.00 0.00 C+0 HETATM 131 C UNK 0 0.278 5.564 -3.442 0.00 0.00 C+0 HETATM 132 C UNK 0 -0.558 6.574 -3.163 0.00 0.00 C+0 HETATM 133 C UNK 0 -0.087 7.863 -3.389 0.00 0.00 C+0 HETATM 134 O UNK 0 -0.902 8.955 -3.159 0.00 0.00 O+0 HETATM 135 C UNK 0 1.201 8.103 -3.893 0.00 0.00 C+0 HETATM 136 C UNK 0 2.019 7.064 -4.144 0.00 0.00 C+0 HETATM 137 O UNK 0 3.305 7.167 -4.626 0.00 0.00 O+0 HETATM 138 C UNK 0 1.540 5.776 -3.911 0.00 0.00 C+0 HETATM 139 H UNK 0 5.703 4.236 0.182 0.00 0.00 H+0 HETATM 140 H UNK 0 5.062 5.326 1.477 0.00 0.00 H+0 HETATM 141 H UNK 0 4.484 3.564 1.272 0.00 0.00 H+0 HETATM 142 H UNK 0 3.187 5.851 0.431 0.00 0.00 H+0 HETATM 143 H UNK 0 3.465 5.992 -1.998 0.00 0.00 H+0 HETATM 144 H UNK 0 5.055 5.155 -1.908 0.00 0.00 H+0 HETATM 145 H UNK 0 4.717 6.623 -0.955 0.00 0.00 H+0 HETATM 146 H UNK 0 2.706 2.922 -0.503 0.00 0.00 H+0 HETATM 147 H UNK 0 2.026 4.668 1.747 0.00 0.00 H+0 HETATM 148 H UNK 0 -0.515 4.548 2.111 0.00 0.00 H+0 HETATM 149 H UNK 0 -1.713 3.873 -0.298 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.778 6.265 0.489 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.755 4.562 -0.940 0.00 0.00 H+0 HETATM 152 H UNK 0 -4.116 6.128 -1.200 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.457 4.930 3.320 0.00 0.00 H+0 HETATM 154 H UNK 0 -6.052 6.213 4.482 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.259 7.992 3.309 0.00 0.00 H+0 HETATM 156 H UNK 0 -6.474 8.947 1.152 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.760 7.665 -0.045 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.203 0.755 1.563 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.418 -1.428 4.133 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.501 0.514 5.617 0.00 0.00 H+0 HETATM 161 H UNK 0 -2.375 2.555 6.969 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.057 4.188 4.102 0.00 0.00 H+0 HETATM 163 H UNK 0 1.762 2.899 -2.654 0.00 0.00 H+0 HETATM 164 H UNK 0 -0.698 4.335 -2.062 0.00 0.00 H+0 HETATM 165 H UNK 0 -0.317 1.854 -2.355 0.00 0.00 H+0 HETATM 166 H UNK 0 -2.908 1.758 -3.424 0.00 0.00 H+0 HETATM 167 H UNK 0 -4.263 0.024 -2.775 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.103 -0.704 -0.123 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.027 -2.303 1.062 0.00 0.00 H+0 HETATM 170 H UNK 0 -4.032 -4.213 2.024 0.00 0.00 H+0 HETATM 171 H UNK 0 -1.919 -3.496 2.981 0.00 0.00 H+0 HETATM 172 H UNK 0 -0.127 -5.725 3.163 0.00 0.00 H+0 HETATM 173 H UNK 0 2.247 -4.090 2.367 0.00 0.00 H+0 HETATM 174 H UNK 0 3.972 -3.017 3.374 0.00 0.00 H+0 HETATM 175 H UNK 0 4.784 -1.225 4.456 0.00 0.00 H+0 HETATM 176 H UNK 0 5.126 1.032 3.950 0.00 0.00 H+0 HETATM 177 H UNK 0 3.593 -0.987 2.588 0.00 0.00 H+0 HETATM 178 H UNK 0 4.936 -1.683 1.049 0.00 0.00 H+0 HETATM 179 H UNK 0 5.479 -1.339 -1.280 0.00 0.00 H+0 HETATM 180 H UNK 0 4.415 -0.817 -3.459 0.00 0.00 H+0 HETATM 181 H UNK 0 2.111 -1.132 -2.583 0.00 0.00 H+0 HETATM 182 H UNK 0 2.446 -2.960 -2.607 0.00 0.00 H+0 HETATM 183 H UNK 0 2.016 -3.983 -4.811 0.00 0.00 H+0 HETATM 184 H UNK 0 1.512 -3.551 -7.195 0.00 0.00 H+0 HETATM 185 H UNK 0 1.718 -1.264 -8.160 0.00 0.00 H+0 HETATM 186 H UNK 0 2.304 0.617 -6.690 0.00 0.00 H+0 HETATM 187 H UNK 0 2.832 0.131 -4.295 0.00 0.00 H+0 HETATM 188 H UNK 0 4.036 -4.128 -1.793 0.00 0.00 H+0 HETATM 189 H UNK 0 7.004 -4.020 -1.706 0.00 0.00 H+0 HETATM 190 H UNK 0 6.063 -6.953 -1.522 0.00 0.00 H+0 HETATM 191 H UNK 0 7.035 -6.229 -2.870 0.00 0.00 H+0 HETATM 192 H UNK 0 9.118 -4.645 0.099 0.00 0.00 H+0 HETATM 193 H UNK 0 6.530 -3.735 1.620 0.00 0.00 H+0 HETATM 194 H UNK 0 6.830 -0.269 1.592 0.00 0.00 H+0 HETATM 195 H UNK 0 8.629 0.944 0.370 0.00 0.00 H+0 HETATM 196 H UNK 0 8.472 3.126 -1.858 0.00 0.00 H+0 HETATM 197 H UNK 0 5.701 2.003 -2.593 0.00 0.00 H+0 HETATM 198 H UNK 0 3.936 0.824 -1.322 0.00 0.00 H+0 HETATM 199 H UNK 0 3.443 3.343 3.598 0.00 0.00 H+0 HETATM 200 H UNK 0 2.294 5.885 4.771 0.00 0.00 H+0 HETATM 201 H UNK 0 1.088 4.050 7.059 0.00 0.00 H+0 HETATM 202 H UNK 0 0.979 2.255 8.754 0.00 0.00 H+0 HETATM 203 H UNK 0 3.138 0.382 6.660 0.00 0.00 H+0 HETATM 204 H UNK 0 4.433 -3.629 5.474 0.00 0.00 H+0 HETATM 205 H UNK 0 3.388 -5.233 3.811 0.00 0.00 H+0 HETATM 206 H UNK 0 3.752 -5.826 5.480 0.00 0.00 H+0 HETATM 207 H UNK 0 2.053 -5.438 5.034 0.00 0.00 H+0 HETATM 208 H UNK 0 1.748 -2.598 6.422 0.00 0.00 H+0 HETATM 209 H UNK 0 2.602 -4.013 7.257 0.00 0.00 H+0 HETATM 210 H UNK 0 3.367 -2.429 7.002 0.00 0.00 H+0 HETATM 211 H UNK 0 -0.434 -3.133 0.600 0.00 0.00 H+0 HETATM 212 H UNK 0 0.236 -3.691 -2.913 0.00 0.00 H+0 HETATM 213 H UNK 0 1.317 -5.720 -2.281 0.00 0.00 H+0 HETATM 214 H UNK 0 3.221 -7.418 -0.689 0.00 0.00 H+0 HETATM 215 H UNK 0 1.540 -6.699 1.906 0.00 0.00 H+0 HETATM 216 H UNK 0 -2.943 -5.349 -1.401 0.00 0.00 H+0 HETATM 217 H UNK 0 -4.693 -6.069 -3.011 0.00 0.00 H+0 HETATM 218 H UNK 0 -7.757 -5.643 -2.863 0.00 0.00 H+0 HETATM 219 H UNK 0 -7.614 -5.930 0.130 0.00 0.00 H+0 HETATM 220 H UNK 0 -5.859 -5.193 1.699 0.00 0.00 H+0 HETATM 221 H UNK 0 -5.048 1.185 0.135 0.00 0.00 H+0 HETATM 222 H UNK 0 -7.156 1.634 2.444 0.00 0.00 H+0 HETATM 223 H UNK 0 -8.693 -0.725 1.351 0.00 0.00 H+0 HETATM 224 H UNK 0 -8.988 -3.113 0.708 0.00 0.00 H+0 HETATM 225 H UNK 0 -5.771 -2.829 -0.855 0.00 0.00 H+0 HETATM 226 H UNK 0 -3.970 1.560 -5.119 0.00 0.00 H+0 HETATM 227 H UNK 0 -5.023 -0.045 -6.686 0.00 0.00 H+0 HETATM 228 H UNK 0 -4.602 -3.002 -6.862 0.00 0.00 H+0 HETATM 229 H UNK 0 -1.715 -2.631 -6.213 0.00 0.00 H+0 HETATM 230 H UNK 0 -0.613 -1.016 -4.663 0.00 0.00 H+0 HETATM 231 H UNK 0 -1.585 6.450 -2.831 0.00 0.00 H+0 HETATM 232 H UNK 0 -1.476 9.274 -3.921 0.00 0.00 H+0 HETATM 233 H UNK 0 1.554 9.088 -4.073 0.00 0.00 H+0 HETATM 234 H UNK 0 3.885 6.354 -4.830 0.00 0.00 H+0 HETATM 235 H UNK 0 2.206 4.927 -4.105 0.00 0.00 H+0 CONECT 1 2 139 140 141 CONECT 2 1 3 4 142 CONECT 3 2 143 144 145 CONECT 4 2 5 29 146 CONECT 5 4 6 147 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 21 148 CONECT 9 8 10 149 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 150 CONECT 13 12 151 152 CONECT 14 12 15 20 CONECT 15 14 16 153 CONECT 16 15 17 154 CONECT 17 16 18 19 CONECT 18 17 155 CONECT 19 17 20 156 CONECT 20 19 14 157 CONECT 21 8 22 28 CONECT 22 21 23 158 CONECT 23 22 24 25 CONECT 24 23 159 CONECT 25 23 26 160 CONECT 26 25 27 28 CONECT 27 26 161 CONECT 28 26 21 162 CONECT 29 4 30 31 CONECT 30 29 CONECT 31 29 32 163 CONECT 32 31 33 131 164 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 165 CONECT 36 35 37 124 166 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 167 CONECT 40 39 41 116 168 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 169 CONECT 44 43 45 109 170 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 171 CONECT 48 47 49 101 172 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 173 CONECT 52 51 53 98 174 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 175 CONECT 56 55 57 90 176 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 177 CONECT 60 59 61 83 178 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 179 CONECT 64 63 65 72 180 CONECT 65 64 66 181 182 CONECT 66 65 67 71 CONECT 67 66 68 183 CONECT 68 67 69 184 CONECT 69 68 70 185 CONECT 70 69 71 186 CONECT 71 70 66 187 CONECT 72 64 73 74 CONECT 73 72 CONECT 74 72 75 188 CONECT 75 74 76 80 189 CONECT 76 75 77 190 191 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 192 CONECT 80 75 81 82 CONECT 81 80 CONECT 82 80 193 CONECT 83 60 84 89 CONECT 84 83 85 194 CONECT 85 84 86 195 CONECT 86 85 87 88 CONECT 87 86 196 CONECT 88 86 89 197 CONECT 89 88 83 198 CONECT 90 56 91 97 CONECT 91 90 92 199 CONECT 92 91 93 94 CONECT 93 92 200 CONECT 94 92 95 201 CONECT 95 94 96 97 CONECT 96 95 202 CONECT 97 95 90 203 CONECT 98 52 99 100 204 CONECT 99 98 205 206 207 CONECT 100 98 208 209 210 CONECT 101 48 102 108 CONECT 102 101 103 211 CONECT 103 102 104 105 CONECT 104 103 212 CONECT 105 103 106 213 CONECT 106 105 107 108 CONECT 107 106 214 CONECT 108 106 101 215 CONECT 109 44 110 115 CONECT 110 109 111 216 CONECT 111 110 112 217 CONECT 112 111 113 114 CONECT 113 112 218 CONECT 114 112 115 219 CONECT 115 114 109 220 CONECT 116 40 117 123 CONECT 117 116 118 221 CONECT 118 117 119 120 CONECT 119 118 222 CONECT 120 118 121 223 CONECT 121 120 122 123 CONECT 122 121 224 CONECT 123 121 116 225 CONECT 124 36 125 130 CONECT 125 124 126 226 CONECT 126 125 127 227 CONECT 127 126 128 129 CONECT 128 127 228 CONECT 129 127 130 229 CONECT 130 129 124 230 CONECT 131 32 132 138 CONECT 132 131 133 231 CONECT 133 132 134 135 CONECT 134 133 232 CONECT 135 133 136 233 CONECT 136 135 137 138 CONECT 137 136 234 CONECT 138 136 131 235 CONECT 139 1 CONECT 140 1 CONECT 141 1 CONECT 142 2 CONECT 143 3 CONECT 144 3 CONECT 145 3 CONECT 146 4 CONECT 147 5 CONECT 148 8 CONECT 149 9 CONECT 150 12 CONECT 151 13 CONECT 152 13 CONECT 153 15 CONECT 154 16 CONECT 155 18 CONECT 156 19 CONECT 157 20 CONECT 158 22 CONECT 159 24 CONECT 160 25 CONECT 161 27 CONECT 162 28 CONECT 163 31 CONECT 164 32 CONECT 165 35 CONECT 166 36 CONECT 167 39 CONECT 168 40 CONECT 169 43 CONECT 170 44 CONECT 171 47 CONECT 172 48 CONECT 173 51 CONECT 174 52 CONECT 175 55 CONECT 176 56 CONECT 177 59 CONECT 178 60 CONECT 179 63 CONECT 180 64 CONECT 181 65 CONECT 182 65 CONECT 183 67 CONECT 184 68 CONECT 185 69 CONECT 186 70 CONECT 187 71 CONECT 188 74 CONECT 189 75 CONECT 190 76 CONECT 191 76 CONECT 192 79 CONECT 193 82 CONECT 194 84 CONECT 195 85 CONECT 196 87 CONECT 197 88 CONECT 198 89 CONECT 199 91 CONECT 200 93 CONECT 201 94 CONECT 202 96 CONECT 203 97 CONECT 204 98 CONECT 205 99 CONECT 206 99 CONECT 207 99 CONECT 208 100 CONECT 209 100 CONECT 210 100 CONECT 211 102 CONECT 212 104 CONECT 213 105 CONECT 214 107 CONECT 215 108 CONECT 216 110 CONECT 217 111 CONECT 218 113 CONECT 219 114 CONECT 220 115 CONECT 221 117 CONECT 222 119 CONECT 223 120 CONECT 224 122 CONECT 225 123 CONECT 226 125 CONECT 227 126 CONECT 228 128 CONECT 229 129 CONECT 230 130 CONECT 231 132 CONECT 232 134 CONECT 233 135 CONECT 234 137 CONECT 235 138 MASTER 0 0 0 0 0 0 0 0 235 0 488 0 END SMILES for NP0001714 (Feglymycin)[H]OC(=O)C([H])([H])[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@]([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@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)O[H] INCHI for NP0001714 (Feglymycin)InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)/t69-,70-,72+,73-,74-,75-,76+,77+,78+,79+,80-,81+,82+/m1/s1 3D Structure for NP0001714 (Feglymycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C95H97N13O30 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1900.8820 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1899.64643 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2R)-2-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido}-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido}-2-(4-hydroxyphenyl)acetamido)-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido]-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-3-phenylpropanamido]butanedioic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2R)-2-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido}-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido}-2-(4-hydroxyphenyl)acetamido)-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-2-(3,5-dihydroxyphenyl)acetamido]-3-methylbutanamido]-2-(3,5-dihydroxyphenyl)acetamido]-2-(4-hydroxyphenyl)acetamido]-3-phenylpropanamido]butanedioic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)C(NC(=O)C(NC(=O)C(N)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(O)=O)C(O)=O)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QJQKBRUTBCTBKE-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 | NPA002530 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 17327044 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 16198635 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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