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CHEBI:222030 - Fabclavine Ib
| Formula | C68H121N13O12 |
| Net Charge | 0 |
| Average Mass | 1312.795 |
| Monoisotopic Mass | 1311.92577 |
| SMILES | CC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=O)CC(O)C1CCCN1C(=O)C1NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(N)C(=O)O)CC(=O)NC1C |
| InChI | InChI=1S/C68H121N13O12/c1-46(69)27-16-7-3-8-19-30-49(70)31-20-9-4-10-21-32-50(71)33-22-11-5-12-23-34-51(72)35-24-13-6-14-25-36-52(82)38-39-75-60(85)45-58(83)57-37-26-40-81(57)67(91)63-47(2)76-62(87)44-56(65(89)78-55(43-59(74)84)66(90)80-63)79-64(88)54(41-48-28-17-15-18-29-48)77-61(86)42-53(73)68(92)93/h15,17-18,28-29,46-47,49-58,63,82-83H,3-14,16,19-27,30-45,69-73H2,1-2H3,(H2,74,84)(H,75,85)(H,76,87)(H,77,86)(H,78,89)(H,79,88)(H,80,90)(H,92,93)/t46?,47?,49?,50?,51?,52?,53?,54-,55?,56?,57?,58?,63?/m0/s1 |
| InChIKey | IZSKWNSKICNTCU-KBXWAUECSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xenorhabdus budapestensis (ncbitaxon:290110) | - | PubMed (24532262) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fabclavine Ib (CHEBI:222030) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-amino-4-[[(2S)-1-[[6-(2-amino-2-oxoethyl)-3-[2-[1-hydroxy-3-oxo-3-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]propyl]pyrrolidine-1-carbonyl]-2-methyl-5,8,11-trioxo-1,4,7-triazacycloundec-9-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid |