In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019AAK
Common NamePIP3[3',4',5'](10:0/16:1(9Z))
Systematic Name1-decanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
SynonymsPIP3[3',4',5'](26:1); PIP3(10:0_16:1)
Exact Mass
964.3153 (neutral)    Calculate m/z:
FormulaC35H68O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyRIUGSVDMMCNAHG-VXIKZXSASA-N
InChIInChI=1S/C35H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)53-27(25-51-
28(36)23-21-19-17-10-8-6-4-2)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56-
60(46,47)48)34(31(32)39)55-59(43,44)45/h12-13,27,30-35,38-39H,3-11,14-26H2,1-2H3
,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b13-12-/t27-,30?,31?,32-,33+,3
4?,35?/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=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)