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CHEBI:222024 - Fabclavine Ia
| Formula | C70H125N13O13 |
| Net Charge | 0 |
| Average Mass | 1356.848 |
| Monoisotopic Mass | 1355.95198 |
| SMILES | CC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(O)CCNC(=O)CC(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/C70H125N13O13/c1-47(71)27-16-7-3-8-19-30-50(72)31-20-9-4-10-21-32-51(73)33-22-11-5-12-23-34-52(74)35-24-13-6-14-25-36-53(84)38-39-77-62(88)43-54(85)42-60(86)59-37-26-40-83(59)69(94)65-48(2)78-64(90)46-58(67(92)80-57(45-61(76)87)68(93)82-65)81-66(91)56(41-49-28-17-15-18-29-49)79-63(89)44-55(75)70(95)96/h15,17-18,28-29,47-48,50-60,65,84-86H,3-14,16,19-27,30-46,71-75H2,1-2H3,(H2,76,87)(H,77,88)(H,78,90)(H,79,89)(H,80,92)(H,81,91)(H,82,93)(H,95,96)/t47?,48?,50?,51?,52?,53?,54?,55?,56-,57?,58?,59?,60?,65?/m0/s1 |
| InChIKey | UQMLOLISKCIDNY-XSNYWXQNSA-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 Ia (CHEBI:222024) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| 2-amino-4-[[(2S)-1-[[6-(2-amino-2-oxoethyl)-3-[2-[1,3-dihydroxy-5-oxo-5-[(11,19,27,35-tetraamino-3-hydroxyhexatriacontyl)amino]pentyl]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 |