In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019ASQ
Common NamePIP3[3',4',5'](16:0/10:0)
Systematic Name1-hexadecanoyl-2-decanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
SynonymsPIP3[3',4',5'](26:0); PIP3(10:0_16:0)
Exact Mass
966.3309 (neutral)    Calculate m/z:
FormulaC35H70O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyCYIJOCCYKQMSQN-XENBZFQUSA-N
InChIInChI=1S/C35H70O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-28(36)51-25-27(53-
29(37)24-22-20-17-10-8-6-4-2)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/h27,30-35,38-39H,3-26H2,1-2H3,(H,49,50)(H
2,40,41,42)(H2,43,44,45)(H2,46,47,48)/t27-,30?,31?,32-,33+,34?,35?/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCC)=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(CCCCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)