Showing Metabocard for 1-pyrroline-2-carboxylate (BASm0002080)

Common Name1-pyrroline-2-carboxylate
Description1-Pyrroline-2-carboxylic acid is a terminal product of D-proline metabolism. Specifically D-proline is converted to 1-Pyrroline-2-carboxylic acid via D-amino acid oxidase. This spontaneously breaks down to 2-oxo-5-amino-valerate.
Structure
Molecular FormulaC5H7NO2
Average Mass113.11460
Monoisotopic Mass113.04768
IUPAC Name3,4-dihydro-2H-pyrrole-5-carboxylic acid
Traditional Name4,5-dihydro-3h-pyrrole-2-carboxylic acid
CAS Registry Number2139-03-09
SMILESO=C([O-])C1=[NH+]CCC1
InChI IdentifierInChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
InChI KeyRHTAIKJZSXNELN-UHFFFAOYSA-N
CHEBI IDCHEBI:39785
HMDB IDHMDB0006875
Pathways
NameSMPDB/PathBank
Arginine and proline metabolism
D-Arginine and D-Ornithine Metabolism
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)
Prolidase Deficiency (PD)
Prolinemia Type II
Hyperprolinemia Type II
Hyperprolinemia Type I
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)
Ornithine Aminotransferase Deficiency (OAT Deficiency)
Creatine deficiency, guanidinoacetate methyltransferase deficiency
Hyperornithinemia with gyrate atrophy (HOGA)
Hyperornithinemia-hyperammonemia-homocitrullinuria [HHH-syndrome]
L-arginine:glycine amidinotransferase deficiency
StateSolid
Water Solubility9.26e+00 g/l
logP0.25
logS-1.09
pKa (Strongest Acidic)3.93
pKa (Strongest Basic)1.72
Hydrogen Acceptor Count3
Hydrogen Donor Count1
Polar Surface Area49.66 Ų
Rotatable Bond Count1
Physiological Charge-1
Formal Charge0
Refractivity27.84 m³·mol⁻¹
Polarizability10.92

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