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CHEBI:202292 - Abenquine D

ChEBI IDCHEBI:202292
ChEBI NameAbenquine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17N3O5
Net Charge0
Average Mass367.361
Monoisotopic Mass367.11682
SMILESCC(=O)NC1=CC(=O)C(N[C@@H](Cc2cnc3ccccc23)C(=O)O)=CC1=O
InChIInChI=1S/C19H17N3O5/c1-10(23)21-14-7-18(25)15(8-17(14)24)22-16(19(26)27)6-11-9-20-13-5-3-2-4-12(11)13/h2-5,7-9,16,20,22H,6H2,1H3,(H,21,23)(H,26,27)/t16-/m0/s1
InChIKeyBWDJZYRMJQSMFC-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21952099)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Abenquine D (CHEBI:202292) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2S)-2-[(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
78440131ChemSpider