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CHEBI:64288 - 5-guanidino-3-methyl-2-oxopentanoic acid

ChEBI IDCHEBI:64288
ChEBI Name5-guanidino-3-methyl-2-oxopentanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which C-3 is methyl-substituted and C-5 is substituted by a carbamimidamido group.
Last Modified23 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H13N3O3
Net Charge0
Average Mass187.199
Monoisotopic Mass187.09569
SMILESCC(CCNC(=N)N)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
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) has functional parent valeric acid (CHEBI:17418)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) has part guanidino group (CHEBI:48551)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) is a 2-oxo monocarboxylic acid (CHEBI:35910)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) is tautomer of 5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263)
Incoming Relation(s)
5-guanidino-3-methyl-2-oxopentanoic acid zwitterion (CHEBI:64263) is tautomer of 5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288)
IUPAC Name 
5-carbamimidamido-3-methyl-2-oxopentanoic acid
Citations