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CHEBI:223405 - Antimycin A13

ChEBI IDCHEBI:223405
ChEBI NameAntimycin A13
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SubmitterMetaboLights
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FormulaC28H40N2O9
Net Charge0
Average Mass548.633
Monoisotopic Mass548.27338
SMILESCCCC[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)CCC(C)CC
InChIInChI=1S/C28H40N2O9/c1-6-8-10-20-25(39-22(32)14-13-16(3)7-2)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-11-9-12-21(24(19)33)29-15-31/h9,11-12,15-18,20,23,25,33H,6-8,10,13-14H2,1-5H3,(H,29,31)(H,30,34)/t16?,17-,18+,20-,23+,25+/m1/s1
InChIKeyDBRQOXPBANMULX-WJYIPEHTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (16161485)
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 A13 (CHEBI:223405) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 4-methylhexanoate
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9482332ChemSpider