phytate

phytate




Chemical Formula:
C6H6O24P6
Molecular Weight:
647.942 Daltons
Monoisotopic Mass:
659.8613705682 Daltons
SMILES:
C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)
InChI:
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)/p-12/t1-,2-,3-,4+,5-,6-
InChIKey:
IMQLKJBTEOYOSI-GPIVLXJGSA-B

Synonyms
  • phytic acid
  • 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate
  • myo-inositol hexakisphosphate
  • D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
  • myo-Inositol 1,2,3,4,5,6-hexakisphosphate
  • Inositol 1,2,3,4,5,6-hexakisphosphate
  • InsP6
  • 1D-myo-Inositol hexakisphosphate
  • IP6
  • inositol hexaphosphate

Databases
MetaCyc:  MI-HEXAKISPHOSPHATE
RefMet:  Myo-inositol hexakisphosphate
BiGG:  minohp
MetaboLights:  MTBLC58130
HMDB:  HMDB03502
ChemSpider:  10618952
ChEBI:  58130 17401
PubChem (CID):  21584050 890
KEGG:  C01204
Seed:  cpd00885
MetaNetX:  MNXM491
CHEMBL:  CHEMBL1233511
CAS:  83-86-3
PupChem (SID):  4428
PDB-CCD:  I6P IHP
3DMET:  B00260
NIKKAJI:  J9.332G