33P

{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID



Chemical Component Summary

Name{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID
Identifiers[5-hydroxy-6-methyl-4-[[[(2R)-2-phosphonooxypropyl]amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate
FormulaC11 H20 N2 O9 P2
Molecular Weight386.232
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O
InChIInChI=1S/C11H20N2O9P2/c1-7(22-24(18,19)20)3-12-5-10-9(6-21-23(15,16)17)4-13-8(2)11(10)14/h4,7,12,14H,3,5-6H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/t7-/m1/s1
InChIKeyJMZWWHLIKAYMPJ-SSDOTTSWSA-N

Chemical Details

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

Drug Info: DrugBank

DrugBank IDDB03433 
Name{3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid
Groups experimental
Synonyms{3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Threonine-phosphate decarboxylaseMALFNSAHGGNIREAATVLGISPDQLLDFSANINPLGMPVSVKRALIDNL...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 5496700