D-myo-inositol 1,3,4,5,6-pentakisphosphate

D-<i>myo</i>-inositol 1,3,4,5,6-pentakisphosphate




Chemical Formula:
C6H7O21P5
Molecular Weight:
569.977 Daltons
Monoisotopic Mass:
579.8950401597999 Daltons
SMILES:
C1(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/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-10/t1-,2+,3-,4-,5+,6+
InChIKey:
CTPQAXVNYGZUAJ-KXXVROSKSA-D

Synonyms
  • Ins(1,3,4,5,6)P5
  • 1D-myo-inositol 1,3,4,5,6-pentakisphosphate
  • inositol 1,3,4,5,6-pentakisphosphate
  • I(1,3,4,5,6)P5

Databases
MetaCyc:  CPD-1107
ChEBI:  16322
MetaboLights:  MTBLC57733
HMDB:  HMDB03529
KEGG:  C01284
Seed:  cpd00943
MetaNetX:  MNXM89719
NIKKAJI:  J493.218H
PDB-CCD:  5MY
PupChem (SID):  4503