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CHEBI:64263 - 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion

Default Structure
ChEBI IDCHEBI:64263
ChEBI Name5-guanidino-3-methyl-2-oxopentanoic acid zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the carboxy to the guanidino group of 5-guanidino-3-methyl-2-oxopentanoic acid; major species at pH 7.3.
Last Modified14 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H13N3O3
Net Charge0
Average Mass187.199
Monoisotopic Mass187.09569
SMILESCC(CCNC(N)=[NH2+])C(=O)C(=O)[O-]
InChIInChI=1S/C7H13N3O3/c1-4(5(11)6(12)13)2-3-10-7(8)9/h4H,2-3H2,1H3,(H,12,13)(H4,8,9,10)
InChIKeyHLXRGRMMMNFZHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263) is a zwitterion (CHEBI:27369)
5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263) is tautomer of 5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288)
Incoming Relation(s)
(3R)-5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:229580) is a 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) is tautomer of 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263)
IUPAC Name 
5-{[amino(iminio)methyl]amino}-3-methyl-2-oxopentanoate
Synonym  Source
5-carbamimidamido-3-methyl-2-oxopentanoic acid zwitterionSUBMITTER
Manual XrefsDatabases
CPD-12430MetaCyc
Citations