CHEBI:198542 - Antimycin A1a

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Antimycin A1a
ChEBI ID CHEBI:198542
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40N2O9
Net Charge 0
Average Mass 548.633
Monoisotopic Mass 548.27338
InChI InChI=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
InChIKey UPHOMQADKXDOFD-ORBKLCBDSA-N
SMILES O=C1O[C@H]([C@H](OC(=O)C(CC)C)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
8052382 ChemSpider
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