In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05019ABB
Common NamePGP(10:0/20:1(11Z))
Systematic Name1-decanoyl-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(30:1); PGP(10:0_20:1)
Exact Mass
772.4292 (neutral)    Calculate m/z:
FormulaC36H70O13P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassDiacylglycerophosphoglycerophosphates [GP0501]
PubChem Compound ID (CID)-
InChIKeyRJFSMVDYZQLPNU-WRNFSJMRSA-N
InChIInChI=1S/C36H70O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-36(39)
49-34(31-45-35(38)27-25-23-21-10-8-6-4-2)32-48-51(43,44)47-30-33(37)29-46-50(40,
41)42/h14-15,33-34,37H,3-13,16-32H2,1-2H3,(H,43,44)(H2,40,41,42)/b15-14-/t33-,34
+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCC
C)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)