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CHEBI:133630 - His-Ala zwitterion

ChEBI IDCHEBI:133630
ChEBI NameHis-Ala zwitterion
Stars
DefinitionA dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Ala. Major species at pH 7.3.
Last Modified13 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC9H14N4O3
Net Charge0
Average Mass226.236
Monoisotopic Mass226.10659
SMILESC[C@H](NC(=O)[C@@H]([NH3+])Cc1cncn1)C(=O)[O-]
InChIInChI=1S/C9H14N4O3/c1-5(9(15)16)13-8(14)7(10)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,7-/m0/s1
InChIKeyFRJIAZKQGSCKPQ-FSPLSTOPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
His-Ala zwitterion (CHEBI:133630) has role metabolite (CHEBI:25212)
His-Ala zwitterion (CHEBI:133630) is a dipeptide zwitterion (CHEBI:90799)
His-Ala zwitterion (CHEBI:133630) is tautomer of His-Ala (CHEBI:73924)
Incoming Relation(s)
His-Ala (CHEBI:73924) is tautomer of His-Ala zwitterion (CHEBI:133630)
IUPAC Name 
(2S)-2-{[(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoyl]amino}propanoate
Synonyms  Source
L-His-L-Ala zwitterionChEBI
histidylalanine zwitterionChEBI
H-A zwitterionChEBI