EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:90910 - deoxyviolaceinate

ChEBI IDCHEBI:90910
ChEBI Namedeoxyviolaceinate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
Last Modified3 March 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H14N3O3
Net Charge-1
Average Mass356.361
Monoisotopic Mass356.10406
SMILESO=C([O-])c1nc(-c2cnc3ccccc23)cc1-c1c(O)nc2ccccc12
InChIInChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1
InChIKeyYNGCGCMGWQFYIK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Chromobacterium violaceum (ncbitaxon:536) - PubMed (21779844)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
deoxyviolaceinate (CHEBI:90910) has role bacterial metabolite (CHEBI:76969)
deoxyviolaceinate (CHEBI:90910) is a monocarboxylic acid anion (CHEBI:35757)
deoxyviolaceinate (CHEBI:90910) is conjugate base of deoxyviolaceinic acid (CHEBI:90909)
Incoming Relation(s)
deoxyviolaceinic acid (CHEBI:90909) is conjugate acid of deoxyviolaceinate (CHEBI:90910)
IUPAC Name 
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
UniProt Name  Source
deoxyviolaceinateUniProt
Manual XrefsDatabases
CPD-14323MetaCyc
Citations