In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AAM
Common NamePG(O-14:0/17:1(9Z))
Systematic Name1-tetradecyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-31:1); PG(O-14:0/17:1)
Exact Mass
692.4992 (neutral)    Calculate m/z:
FormulaC37H73O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyASYNYVFASQJZHL-NBRWBSCISA-N
InChIInChI=1S/C37H73O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-37(40)46-36(34-45
-47(41,42)44-32-35(39)31-38)33-43-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h15,17,3
5-36,38-39H,3-14,16,18-34H2,1-2H3,(H,41,42)/b17-15-/t35-,36+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)