In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029A6K
Common NamePGP(O-22:1(11Z)/10:0)
Systematic Name1-(11Z-docosenyl)-2-decanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
SynonymsPGP(O-32:1); PGP(O-22:1/10:0)
Exact Mass
786.4812 (neutral)    Calculate m/z:
FormulaC38H76O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyNLYBFGISOCIXDX-WQQOROIJSA-N
InChIInChI=1S/C38H76O12P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-
31-46-34-37(50-38(40)30-28-26-24-10-8-6-4-2)35-49-52(44,45)48-33-36(39)32-47-51(
41,42)43/h16-17,36-37,39H,3-15,18-35H2,1-2H3,(H,44,45)(H2,41,42,43)/b17-16-/t36-
,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C
\CCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)