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CHEBI:198542 - Antimycin A1a

ChEBI IDCHEBI:198542
ChEBI NameAntimycin A1a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40N2O9
Net Charge0
Average Mass548.633
Monoisotopic Mass548.27338
SMILESCCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)C(C)CC
InChIInChI=1S/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16?,17-,18+,20-,22+,24+/m1/s1
InChIKeyUPHOMQADKXDOFD-ORBKLCBDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ja990190h)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Antimycin A1a (CHEBI:198542) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate
Manual XrefsDatabases
8052382ChemSpider