In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029AAP
Common NamePGP(O-14:0/18:1(11E))
Systematic Name1-tetradecyl-2-(11E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(O-32:1); PGP(O-14:0/18:1)
Exact Mass
786.4812 (neutral)    Calculate m/z:
FormulaC38H76O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyMYFDHDIBCKCUJM-FQCGQDBESA-N
InChIInChI=1S/C38H76O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(40)50-37(
35-49-52(44,45)48-33-36(39)32-47-51(41,42)43)34-46-31-29-27-25-23-21-16-14-12-10
-8-6-4-2/h13,15,36-37,39H,3-12,14,16-35H2,1-2H3,(H,44,45)(H2,41,42,43)/b15-13+/t
36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCC
CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)