I3B

5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid



Chemical Component Summary

Name5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
Identifiers5-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
FormulaC13 H21 N2 O7 P
Molecular Weight348.289
TypeNON-POLYMER
Isomeric SMILESCc1c(c(c(cn1)COP(=O)(O)O)CNCCCCC(=O)O)O
InChIInChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21)
InChIKeyJXMZQLZPXCDFBY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count44
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 163321799