CHEBI:78216 - α,β-didehydrotryptophan zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α,β-didehydrotryptophan zwitterion
ChEBI ID CHEBI:78216
ChEBI ASCII Name alpha,beta-didehydrotryptophan zwitterion
Definition An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of α,β-didehydrotryptophan; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H10N2O2
Net Charge 0
Average Mass 202.20930
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 [NH3+]\C(=C/c1c[nH]c2ccccc12)C([O-])=O
ChEBI Ontology
Outgoing α,β-didehydrotryptophan zwitterion (CHEBI:78216) is a amino acid zwitterion (CHEBI:35238)
α,β-didehydrotryptophan zwitterion (CHEBI:78216) is tautomer of α,β-didehydrotryptophan (CHEBI:15802)
α,β-didehydrotryptophan zwitterion (CHEBI:78216) is tautomer of 2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193)
Incoming α,β-didehydrotryptophan (CHEBI:15802) is tautomer of α,β-didehydrotryptophan zwitterion (CHEBI:78216)
2-iminio-3-(indol-3-yl)propanoate (CHEBI:59193) is tautomer of α,β-didehydrotryptophan zwitterion (CHEBI:78216)
IUPAC Name
(2Z)-2-azaniumyl-3-(1H-indol-3-yl)prop-2-enoate
Synonym Source
α,β-didehydrotryptophan UniProt
Last Modified
24 June 2014