Chemical Component Summary

NameINOSITOL HEXAKISPHOSPHATE
SynonymsMYO-INOSITOL HEXAKISPHOSPHATE; INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
Identifiers(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate
FormulaC6 H18 O24 P6
Molecular Weight660.035
TypeNON-POLYMER
Isomeric SMILESC1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count54
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB14981 
NamePhytic acid
Groups investigational
DescriptionPhytic acid is under investigation in clinical trial NCT01000233 (Value of Oral Phytate (InsP6) in the Prevention of Progression of the Cardiovascular Calcifications).
Synonyms
  • Inosithexaphosphorsäure
  • D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
  • 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
  • myo-Inositol hexakisphosphate
  • myo-inositol 1,2,3,4,5,6-hexakisphosphate
Categories
  • Alcohols
  • Carbohydrates
  • Inositol Phosphates
  • Sugar Alcohols
  • Sugar Phosphates
CAS number83-86-3