CHEBI:15802 - α,β-didehydrotryptophan

ChEBI IDCHEBI:15802
ChEBI Nameα,β-didehydrotryptophan
Stars
ASCII Namealpha,beta-didehydrotryptophan
DefinitionA dehydroamino acid that is the 2,3-didehydro derivative of tryptophan.
Secondary ChEBI IDsCHEBI:10203, CHEBI:12286, CHEBI:22366, CHEBI:59192
Last Modified25 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC11H10N2O2
Net Charge0
Average Mass202.213
Monoisotopic Mass202.07423
SMILESN/C(=C\c1cnc2ccccc12)C(=O)O
InChIInChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-
InChIKeyHXAJMKJPBQFASJ-UITAMQMPSA-N
ChEBI Ontology
Outgoing Relation(s)
α,β-didehydrotryptophan (CHEBI:15802) is a 2,3-dehydroamino acid (CHEBI:145326)
α,β-didehydrotryptophan (CHEBI:15802) is conjugate acid of α,β-didehydrotryptophanate(1−) (CHEBI:57519)
α,β-didehydrotryptophan (CHEBI:15802) is tautomer of 2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193)
α,β-didehydrotryptophan (CHEBI:15802) is tautomer of 2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891)
α,β-didehydrotryptophan (CHEBI:15802) is tautomer of α,β-didehydrotryptophan zwitterion (CHEBI:78216)
Incoming Relation(s)
α,β-didehydrotryptophanate(1−) (CHEBI:57519) is conjugate base of α,β-didehydrotryptophan (CHEBI:15802)
2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193) is tautomer of α,β-didehydrotryptophan (CHEBI:15802)
2-imino-3-(indol-3-yl)propanoic acid (CHEBI:90891) is tautomer of α,β-didehydrotryptophan (CHEBI:15802)
α,β-didehydrotryptophan zwitterion (CHEBI:78216) is tautomer of α,β-didehydrotryptophan (CHEBI:15802)
IUPAC Name 
(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
Synonyms  Source
alpha,beta-DidehydrotryptophanKEGG COMPOUND
(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acidChEBI
(Z)-2-amino-3-(1H-indol-3-yl)acrylic acidChEBI
(2Z)-2-amino-3-(1H-indol-3-yl)acrylic acidIUPAC
Manual XrefsDatabases
C06732KEGG COMPOUND
TRYPDBeChem
Registry NumbersSources
Reaxys:6327993Reaxys
CAS:57361-88-3KEGG COMPOUND