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AKA 2-Oxoarginine

CAT: 1596-AR-A02500-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02500-01Size:100 Units
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CAS Number
3715-10-4
Synonyms
α-Keto-δ-guanidinovaleric Acid; δ-Guanidino-α-oxovaleric Acid; 5-Guanidino-2-oxo-valeric Acid; 5-[ (Aminoiminomethyl) amino]-2-oxopentanoic Acid; 2-Oxo-5-guanidinovaleric Acid; 5-Guanidino-2-oxovaleric Acid
Molecular Formula
C6H11N3O3
Molecular Weight
173.17
API Name
Arginine

Chemical Information

alpha-keto-delta-Guanidinovaleric acid

5-guanidino-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 5-guanidino-2-oxopentanoate. It is a tautomer of a 5-guanidino-2-oxopentanoic acid zwitterion.

CAS Number3715-10-4
PubChem CID558
IUPAC Name5-(diaminomethylideneamino)-2-oxopentanoic acid
Molecular FormulaC6H11N3O3
Molecular Weight173.17
XLogP-1.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity208
SMILES
C(CC(=O)C(=O)O)CN=C(N)N
InChI
InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKey
ARBHXJXXVVHMET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-keto-delta-Guanidinovaleric acid
CAS: 3715-10-4
CID: 558
Formula: C6H11N3O3
MW: 173.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.17
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass173.08004122
Monoisotopic Mass173.08004122
Topological Polar Surface Area119 Ų
Heavy Atom Count12
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes