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CHEBI:203518 - Abenquine B2

ChEBI IDCHEBI:203518
ChEBI NameAbenquine B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O5
Net Charge0
Average Mass294.307
Monoisotopic Mass294.12157
SMILESCCC(C)[C@H](NC1=CC(=O)C(NC(C)=O)=CC1=O)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-4-7(2)13(14(20)21)16-10-6-11(18)9(5-12(10)19)15-8(3)17/h5-7,13,16H,4H2,1-3H3,(H,15,17)(H,20,21)/t7?,13-/m0/s1
InChIKeyHONBKAYKRFUJAC-GRSHUZJTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21952099)
ChEBI Ontology
Outgoing Relation(s)
Abenquine B2 (CHEBI:203518) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-methylpentanoic acid
Manual XrefsDatabases
78440164ChemSpider