Chemical Component Summary

NameN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
Identifiers(2R)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
FormulaC11 H17 N2 O7 P
Molecular Weight320.236
TypeD-PEPTIDE LINKING
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O
InChIInChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
InChIKeyWACJCHFWJNNBPR-SSDOTTSWSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count38
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB01993 
NameN-(5'-Phosphopyridoxyl)-D-Alanine
Groups experimental
SynonymsN-(5'-Phosphopyridoxyl)-D-Alanine

Drug Targets

NameTarget SequencePharmacological ActionActions
Alanine racemaseMNDFHRDTWAEVDLDAIYDNVENLRRLLPDDTHIMAVVKANAYGHGDVQV...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 446862
ChEBI CHEBI:44743