Chemical Component Summary

Name3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
Identifiers3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]benzoic acid
FormulaC15 H17 N2 O7 P
Molecular Weight368.278
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O
InChIInChI=1S/C15H17N2O7P/c1-9-14(18)13(11(6-16-9)8-24-25(21,22)23)7-17-12-4-2-3-10(5-12)15(19)20/h2-6,17-18H,7-8H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyWSOQXCGRIUHULI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count43
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 194170