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CHEBI:208809 - Abenquine B1

ChEBI IDCHEBI:208809
ChEBI NameAbenquine B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O5
Net Charge0
Average Mass294.307
Monoisotopic Mass294.12157
SMILESCC(=O)NC1=CC(=O)C(N[C@@H](CC(C)C)C(=O)O)=CC1=O
InChIInChI=1S/C14H18N2O5/c1-7(2)4-11(14(20)21)16-10-6-12(18)9(5-13(10)19)15-8(3)17/h5-7,11,16H,4H2,1-3H3,(H,15,17)(H,20,21)/t11-/m0/s1
InChIKeyCXNQOKVLMZBVSF-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21952099)
ChEBI Ontology
Outgoing Relation(s)
Abenquine B1 (CHEBI:208809) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-4-methylpentanoic acid
Manual XrefsDatabases
78440347ChemSpider