CHEBI:57747 - 3-(pyrazol-1-yl)-L-alanine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(pyrazol-1-yl)-L-alanine zwitterion
ChEBI ID CHEBI:57747
ChEBI ASCII Name 3-(pyrazol-1-yl)-L-alanine zwitterion
Definition Zwitterionic form of 3-(pyrazol-1-yl)-L-alanine having an anionic carboxy group and a protonated α-amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H9N3O2
Net Charge 0
Average Mass 155.15460
Monoisotopic Mass 155.06948
InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)/t5-/m0/s1
InChIKey PIGOPELHGLPKLL-YFKPBYRVSA-N
SMILES [NH3+][C@@H](Cn1cccn1)C([O-])=O
ChEBI Ontology
Outgoing 3-(pyrazol-1-yl)-L-alanine zwitterion (CHEBI:57747) is a amino acid zwitterion (CHEBI:35238)
3-(pyrazol-1-yl)-L-alanine zwitterion (CHEBI:57747) is tautomer of 3-(pyrazol-1-yl)-L-alanine (CHEBI:16357)
Incoming 3-(pyrazol-1-yl)-L-alanine (CHEBI:16357) is tautomer of 3-(pyrazol-1-yl)-L-alanine zwitterion (CHEBI:57747)
IUPAC Name
(2S)-2-azaniumyl-3-(1H-pyrazol-1-yl)propanoate
Synonyms Sources
(2S)-2-ammonio-3-(1H-pyrazol-1-yl)propanoate ChEBI
3-(pyrazol-1-yl)-L-alanine UniProt
Last Modified
15 April 2015