D-myo-inositol (1,4,5)-trisphosphate

D-<i>myo</i>-inositol (1,4,5)-trisphosphate




Chemical Formula:
C6H9O15P3
Molecular Weight:
414.049 Daltons
Monoisotopic Mass:
419.96237934299995 Daltons
SMILES:
C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)
InChI:
1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2+,3+,4-,5-,6-/m1/s1
InChIKey:
MMWCIQZXVOZEGG-XJTPDSDZSA-H

Synonyms
  • inositol (1,4,5)-trisphosphate
  • 1D-myo-inositol (1,4,5)-trisphosphate
  • I(1,4,5)P3
  • InsP3
  • IP3
  • triphosphoinositol
  • Ins(1,4,5)P3

Databases
MetaCyc:  INOSITOL-1-4-5-TRISPHOSPHATE
MetaboLights:  MTBLC203600
HMDB:  HMDB01498
ChemSpider:  10375590
ChEBI:  203600 16595
PubChem (CID):  21761708
Wikipedia:  Inositol_triphosphate
KEGG:  C01245
CAS:  85166-31-0 88269-39-0
MetaNetX:  MNXM200
PupChem (SID):  4466
CHEMBL:  CHEMBL279107
KNApSAcK:  C00007460
PDB-CCD:  I3P
NIKKAJI:  J260.291A