In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07019AAF
Common NamePIP[3'](10:0/14:1(9Z))
Systematic Name1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
SynonymsPIP[3'](24:1); PIP(10:0_14:1)
Exact Mass
776.3513 (neutral)    Calculate m/z:
FormulaC33H62O16P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassDiacylglycerophosphoinositol monophosphates [GP0701]
PubChem Compound ID (CID)-
InChIKeyGCJJCVPVQCMAIZ-GFXJLITOSA-N
InChIInChI=1S/C33H62O16P2/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(35)47-25(23-45-26(34)
21-19-17-15-10-8-6-4-2)24-46-51(43,44)49-33-30(38)28(36)29(37)32(31(33)39)48-50(
40,41)42/h9,11,25,28-33,36-39H,3-8,10,12-24H2,1-2H3,(H,43,44)(H2,40,41,42)/b11-9
-/t25-,28?,29?,30?,31?,32-,33+/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O
)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)