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CHEBI:133659 - Pro-Ala zwitterion

ChEBI IDCHEBI:133659
ChEBI NamePro-Ala zwitterion
Stars
DefinitionA dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Pro-Ala. Major species at pH 7.3.
Last Modified13 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H14N2O3
Net Charge0
Average Mass186.211
Monoisotopic Mass186.10044
SMILESC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]
InChIInChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKeyFELJDCNGZFDUNR-WDSKDSINSA-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)
Pro-Ala zwitterion (CHEBI:133659) has role metabolite (CHEBI:25212)
Pro-Ala zwitterion (CHEBI:133659) is a dipeptide zwitterion (CHEBI:90799)
Pro-Ala zwitterion (CHEBI:133659) is tautomer of Pro-Ala (CHEBI:74753)
Incoming Relation(s)
Pro-Ala (CHEBI:74753) is tautomer of Pro-Ala zwitterion (CHEBI:133659)
IUPAC Name 
(2S)-2-{[(2S)-pyrrolidin-1-ium-2-carbonyl]amino}propanoate
Synonyms  Source
prolylalanine zwitterionChEBI
PA zwitterionChEBI
L-Pro-L-Ala zwitterionChEBI
L-prolyl-L-alanine zwitterionChEBI