In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029A4C
Common NamePG(O-22:0/13:0)
Systematic Name1-docosyl-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-35:0); PG(O-22:0/13:0)
Exact Mass
750.5775 (neutral)    Calculate m/z:
FormulaC41H83O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyBPBBDGLPRIDQNO-IOLBBIBUSA-N
InChIInChI=1S/C41H83O9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34
-47-37-40(38-49-51(45,46)48-36-39(43)35-42)50-41(44)33-31-29-27-25-14-12-10-8-6-
4-2/h39-40,42-43H,3-38H2,1-2H3,(H,45,46)/t39-,40+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCCCCCCCC
CC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)