In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05019AA0
Common NamePGP(10:0/18:2(9E,11E))
Systematic Name1-decanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(28:2); PGP(10:0_18:2)
Exact Mass
742.3822 (neutral)    Calculate m/z:
FormulaC34H64O13P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassDiacylglycerophosphoglycerophosphates [GP0501]
PubChem Compound ID (CID)-
InChIKeyOTMQUXVAXNLJEW-ZFFLZZAHSA-N
InChIInChI=1S/C34H64O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-34(37)47-32(
29-43-33(36)25-23-21-19-10-8-6-4-2)30-46-49(41,42)45-28-31(35)27-44-48(38,39)40/
h12-15,31-32,35H,3-11,16-30H2,1-2H3,(H,41,42)(H2,38,39,40)/b13-12+,15-14+/t31-,3
2+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)COC(CCCCCCCC
C)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)