In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029AAO
Common NamePGP(O-14:0/18:0)
Systematic Name1-tetradecyl-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
SynonymsPGP(O-32:0); PGP(O-14:0/18:0)
Exact Mass
788.4969 (neutral)    Calculate m/z:
FormulaC38H78O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyJTVSZWBQVQENHP-PQQNNWGCSA-N
InChIInChI=1S/C38H78O12P2/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/h36-37,39H,3-35H2,1-2H3,(H,44,45)(H2,41,42,43)/t36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCC
CCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)