Chemical Component Summary

NameN-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID
SynonymsN-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
Identifiers(2R)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanedioic acid
FormulaC13 H19 N2 O9 P
Molecular Weight378.272
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O
InChIInChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1
InChIKeyJMRKOGDJNHPMHS-SNVBAGLBSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count44
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04762 
NameN-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
Groups experimental
SynonymsN-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE

Drug Targets

NameTarget SequencePharmacological ActionActions
Aspartate aminotransferaseMFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...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 4369489