In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AOB
Common NamePG(O-18:1(11Z)/15:1(9Z))
Systematic Name1-(11Z-octadecenyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-33:2); PG(O-18:1/15:1)
Exact Mass
718.5149 (neutral)    Calculate m/z:
FormulaC39H75O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyHPFKTDVLFHZBGC-WSOYCCITSA-N
InChIInChI=1S/C39H75O9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-45-35-38(36
-47-49(43,44)46-34-37(41)33-40)48-39(42)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h1
2-15,37-38,40-41H,3-11,16-36H2,1-2H3,(H,43,44)/b14-12-,15-13-/t37-,38+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\
CCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)