CHEBI:221679 - Antimycin A4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A4
ChEBI ID CHEBI:221679
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34N2O9
Net Charge 0
Average Mass 506.552
Monoisotopic Mass 506.22643
InChI InChI=1S/C25H34N2O9/c1-5-7-10-17-22(36-19(29)9-6-2)15(4)35-25(33)20(14(3)34-24(17)32)27-23(31)16-11-8-12-18(21(16)30)26-13-28/h8,11-15,17,20,22,30H,5-7,9-10H2,1-4H3,(H,26,28)(H,27,31)/t14-,15+,17-,20+,22+/m1/s1
InChIKey GYANSQKXOLFAFP-IRSNHEQCSA-N
SMILES O=C1O[C@H]([C@H](OC(=O)CCC)[C@@H](CCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
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 A4 (CHEBI:221679) 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] butanoate
Manual Xref Database
9930616 ChemSpider
View more database links