CHEBI:15802 - α,β-didehydrotryptophan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α,β-didehydrotryptophan
ChEBI ID CHEBI:15802
ChEBI ASCII Name alpha,beta-didehydrotryptophan
Definition A dehydroamino acid that is the 2,3-didehydro derivative of tryptophan.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10203, CHEBI:12286, CHEBI:22366, CHEBI:59192
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C11H10N2O2
Net Charge 0
Average Mass 202.213
Monoisotopic Mass 202.07423
InChI InChI=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-
InChIKey HXAJMKJPBQFASJ-UITAMQMPSA-N
SMILES C1(=CNC2=C1C=CC=C2)\C=C(\C(=O)O)/N
ChEBI Ontology
Outgoing 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 α,β-didehydrotryptophan zwitterion (CHEBI:78216)
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)
Incoming α,β-didehydrotryptophanate(1−) (CHEBI:57519) is conjugate base of α,β-didehydrotryptophan (CHEBI:15802)
α,β-didehydrotryptophan zwitterion (CHEBI:78216) is tautomer 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)
IUPAC Name
(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
Synonyms Sources
(2Z)-2-amino-3-(1H-indol-3-yl)acrylic acid IUPAC
(Z)-2-amino-3-(1H-indol-3-yl)acrylic acid ChEBI
(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid ChEBI
alpha,beta-Didehydrotryptophan KEGG COMPOUND
Manual Xrefs Databases
C06732 KEGG COMPOUND
TRY PDBeChem
View more database links
Registry Numbers Types Sources
57361-88-3 CAS Registry Number KEGG COMPOUND
6327993 Reaxys Registry Number Reaxys
Last Modified
25 November 2019