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CHEBI:90891 - 2-imino-3-(indol-3-yl)propanoic acid

Default Structure
ChEBI IDCHEBI:90891
ChEBI Name2-imino-3-(indol-3-yl)propanoic acid
Stars
DefinitionA dehydroamino acid that is tryptophan in which the amino group has been oxidised to the corresponding imine.
Last Modified7 March 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H10N2O2
Net Charge0
Average Mass202.213
Monoisotopic Mass202.07423
SMILESN=C(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)
InChIKeyLKYWXXAVLLVJAS-UHFFFAOYSA-N
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)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) has role bacterial metabolite (CHEBI:76969)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is a dehydroamino acid (CHEBI:23591)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is a indoles (CHEBI:24828)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is a ketimine (CHEBI:33272)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is a tryptophan derivative (CHEBI:27164)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is conjugate acid of 2-imino-3-(indol-3-yl)propanoate (CHEBI:90892)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is tautomer of 2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is tautomer of α,β-didehydrotryptophan (CHEBI:15802)
Incoming Relation(s)
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid (CHEBI:136433) has functional parent 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid (CHEBI:136437) has functional parent 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
2-imino-3-(indol-3-yl)propanoate (CHEBI:90892) is conjugate base of 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193) is tautomer of 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
α,β-didehydrotryptophan (CHEBI:15802) is tautomer of 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
IUPAC Name 
2-imino-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
CPD-11890MetaCyc
Registry NumbersSources
Reaxys:4427187Reaxys
Citations