Chemical Component Summary

NameN-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE
SynonymsN-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE
Identifiers2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-2-methyl-propanoic acid
FormulaC12 H19 N2 O7 P
Molecular Weight334.262
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)C(=O)O)O
InChIInChI=1S/C12H19N2O7P/c1-7-10(15)9(5-14-12(2,3)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,5-6H2,1-3H3,(H,16,17)(H2,18,19,20)
InChIKeyNHGDGJKONAZETF-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04241 
NameN-Pyridoxyl-2-Methylalanine-5-Phosphate
Groups experimental
SynonymsN-Pyridoxyl-2-Methylalanine-5-Phosphate

Drug Targets

NameTarget SequencePharmacological ActionActions
2,2-dialkylglycine decarboxylaseMSLNDDATFWRNARQHLVRYGGTFEPMIIERAKGSFVYDADGRAILDFTS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445009