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

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ChEBI Name 5-guanidino-3-methyl-2-oxopentanoic acid
ChEBI ID CHEBI:64288
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H13N3O3
Net Charge 0
Average Mass 187.19640
Monoisotopic Mass 187.09569
InChI InChI=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)
InChIKey HLXRGRMMMNFZHD-UHFFFAOYSA-N
SMILES CC(CCNC(N)=N)C(=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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
Citation Waiting for Citations Type Source
20190091 PubMed citation Europe PMC
Last Modified
23 March 2012