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CHEBI:212382 - Abenquine C

ChEBI IDCHEBI:212382
ChEBI NameAbenquine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O5
Net Charge0
Average Mass280.280
Monoisotopic Mass280.10592
SMILESCC(=O)NC1=CC(=O)C(N[C@H](C(=O)O)C(C)C)=CC1=O
InChIInChI=1S/C13H16N2O5/c1-6(2)12(13(19)20)15-9-5-10(17)8(4-11(9)18)14-7(3)16/h4-6,12,15H,1-3H3,(H,14,16)(H,19,20)/t12-/m0/s1
InChIKeyWXCJZGWBYDDUCO-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21952099)
ChEBI Ontology
Outgoing Relation(s)
Abenquine C (CHEBI:212382) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-methylbutanoic acid
Manual XrefsDatabases
76783417ChemSpider