In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029AU2
Common NamePGP(O-20:1(11Z)/11:0)
Systematic Name1-(11Z-eicosenyl)-2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(O-31:1); PGP(O-20:1/11:0)
Exact Mass
772.4656 (neutral)    Calculate m/z:
FormulaC37H74O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyVXZOJTVKCTVSDP-XZPRYJARSA-N
InChIInChI=1S/C37H74O12P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-45-
33-36(49-37(39)29-27-25-23-12-10-8-6-4-2)34-48-51(43,44)47-32-35(38)31-46-50(40,
41)42/h15-16,35-36,38H,3-14,17-34H2,1-2H3,(H,43,44)(H2,40,41,42)/b16-15-/t35-,36
+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=
C\CCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)