EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207023 - Deformylated antimycin A1a

ChEBI IDCHEBI:207023
ChEBI NameDeformylated antimycin A1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40N2O8
Net Charge0
Average Mass520.623
Monoisotopic Mass520.27847
SMILESCCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(N)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)[C@@H](C)CC
InChIInChI=1S/C27H40N2O8/c1-6-8-9-10-12-19-23(37-25(32)15(3)7-2)17(5)36-27(34)21(16(4)35-26(19)33)29-24(31)18-13-11-14-20(28)22(18)30/h11,13-17,19,21,23,30H,6-10,12,28H2,1-5H3,(H,29,31)/t15-,16+,17-,19+,21-,23-/m0/s1
InChIKeyUAHVBUFGWRYNSY-ZMAMPDHFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies THS-55 (ncbitaxon:1551467) - PubMed (28176847)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Deformylated antimycin A1a (CHEBI:207023) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2R,3S,6S,7R,8R)-3-[(3-amino-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] (2S)-2-methylbutanoate
Manual XrefsDatabases
61708772ChemSpider