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CHEBI:210855 - Abenquine A

ChEBI IDCHEBI:210855
ChEBI NameAbenquine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16N2O5
Net Charge0
Average Mass328.324
Monoisotopic Mass328.10592
SMILESCC(=O)NC1=CC(=O)C(N[C@@H](Cc2ccccc2)C(=O)O)=CC1=O
InChIInChI=1S/C17H16N2O5/c1-10(20)18-12-8-16(22)13(9-15(12)21)19-14(17(23)24)7-11-5-3-2-4-6-11/h2-6,8-9,14,19H,7H2,1H3,(H,18,20)(H,23,24)/t14-/m0/s1
InChIKeyJIPASBHCRXZNBN-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21952099)
ChEBI Ontology
Outgoing Relation(s)
Abenquine A (CHEBI:210855) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-phenylpropanoic acid
Manual XrefsDatabases
28289347ChemSpider