In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029ASW
Common NamePGP(O-20:0/15:0)
Systematic Name1-eicosyl-2-pentadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
SynonymsPGP(O-35:0); PGP(O-20:0/15:0)
Exact Mass
830.5438 (neutral)    Calculate m/z:
FormulaC41H84O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyVAEKAGIQYPYUOQ-IOLBBIBUSA-N
InChIInChI=1S/C41H84O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-49-
37-40(38-52-55(47,48)51-36-39(42)35-50-54(44,45)46)53-41(43)33-31-29-27-25-23-16
-14-12-10-8-6-4-2/h39-40,42H,3-38H2,1-2H3,(H,47,48)(H2,44,45,46)/t39-,40+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCC
CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)