In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019AAE
Common NamePI(10:0/14:0)
Systematic Name1-decanoyl-2-tetradecanoyl-sn-glycero-3-phosphoinositol
SynonymsPI(24:0); PI(10:0_14:0)
Exact Mass
698.4006 (neutral)    Calculate m/z:
FormulaC33H63O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyRWLBYEZUCPLEOW-PZRIFWELSA-N
InChIInChI=1S/C33H63O13P/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(35)45-25(23-43-26(34)2
1-19-17-15-10-8-6-4-2)24-44-47(41,42)46-33-31(39)29(37)28(36)30(38)32(33)40/h25,
28-33,36-40H,3-24H2,1-2H3,(H,41,42)/t25-,28?,29-,30?,31?,32?,33-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC
CCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)