In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AXI
Common NamePG(O-20:1(9Z)/15:0)
Systematic Name1-(9Z-eicosenyl)-2-pentadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-35:1); PG(O-20:1/15:0)
Exact Mass
748.5618 (neutral)    Calculate m/z:
FormulaC41H81O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyYUHARKOHSLTOMP-YLYHLXCMSA-N
InChIInChI=1S/C41H81O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-47-37
-40(38-49-51(45,46)48-36-39(43)35-42)50-41(44)33-31-29-27-25-23-16-14-12-10-8-6-
4-2/h19-20,39-40,42-43H,3-18,21-38H2,1-2H3,(H,45,46)/b20-19-/t39-,40+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=C\CCCCC
CCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)