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CHEBI:222035 - Fabclavine IIa
| Formula | C67H123N15O13 |
| Net Charge | 0 |
| Average Mass | 1346.813 |
| Monoisotopic Mass | 1345.94248 |
| SMILES | CC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCCC(N)CCCCCCC[C@@H](O)CCNC(=O)CC(O)C[C@@H](O)[C@@H]1CCCN1C(=O)C1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc2cncn2)NC(=O)C[C@H](N)C(=O)O)CC(=O)NC1C |
| InChI | InChI=1S/C67H123N15O13/c1-44(68)24-15-7-3-8-16-25-46(69)26-17-9-4-10-18-27-47(70)28-19-11-5-12-20-29-48(71)30-21-13-6-14-22-31-50(83)33-34-75-59(87)38-51(84)37-57(85)56-32-23-35-82(56)66(93)62-45(2)77-61(89)41-55(64(91)79-54(40-58(73)86)65(92)81-62)80-63(90)53(36-49-42-74-43-76-49)78-60(88)39-52(72)67(94)95/h42-48,50-57,62,83-85H,3-41,68-72H2,1-2H3,(H2,73,86)(H,74,76)(H,75,87)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,92)(H,94,95)/t44?,45?,46?,47?,48?,50-,51?,52+,53+,54+,55-,56+,57-,62?/m1/s1 |
| InChIKey | BPJNOLJFUQBQGC-NNKNSVRNSA-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 IIa (CHEBI:222035) is a cyclic peptide (CHEBI:23449) |
| IUPAC Name |
|---|
| (2S)-2-amino-4-[[(2S)-1-[[(6S,9R)-6-(2-amino-2-oxoethyl)-3-[(2S)-2-[(1R)-1,3-dihydroxy-5-oxo-5-[[(3R)-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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |