4-{[(E)-{2-Methyl-3-Oxo-5-[(Phosphonooxy)Methyl]-4(3H)-Pyridinylidene}Methyl]Amino}Butanoic Acid

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Properties Simple | Detailed

Formula C12H17N2O7P
IUPAC Name 4-[[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanoic acid
Molecular Mass 332.246 g·mol−1
Heat of Formation -1452.2 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 367.97 Å 3
Surface Area 325.49 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanoic acid
  • 4-[[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid
  • 4-[[(e)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butyric acid
  • 4-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]butanoic acid
  • 4-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]butanoic acid
  • 4-[[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methylamino]butyric acid
  • butanoic acid, 4-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)amino)-
  • gaba-pyridoxal phosphate
  • pyridoxal phosphate gaba
  • pyridoxal phosphate gamma-aminobutyrate
  • pyridoxal phosphate gamma-aminobutyric acid
CAS Number(s)
  • 63221-68-1
InChIKey FWHVSFVOZQBAHS-UXBLZVDNSA-N
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