In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019AA6
Common NamePIP3[3',4',5'](10:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name1-decanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3,
4,5-trisphosphate
SynonymsPIP3[3',4',5'](28:4); PIP3(10:0_18:4)
Exact Mass
986.2996 (neutral)    Calculate m/z:
FormulaC37H66O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyRCTGWNWLPFYHPH-HCDVTZOCSA-N
InChIInChI=1S/C37H66O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)55-29(
27-53-30(38)25-23-21-19-10-8-6-4-2)28-54-63(51,52)59-34-32(40)35(56-60(42,43)44)
37(58-62(48,49)50)36(33(34)41)57-61(45,46)47/h5,7,11-12,14-15,17-18,29,32-37,40-
41H,3-4,6,8-10,13,16,19-28H2,1-2H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,
50)/b7-5-,12-11-,15-14-,18-17-/t29-,32?,33?,34-,35+,36?,37?/m1/s1
SMILES[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)
(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)