In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AAN
Common NamePG(O-14:0/17:2(9Z,12Z))
Systematic Name1-tetradecyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-31:2); PG(O-14:0/17:2)
Exact Mass
690.4836 (neutral)    Calculate m/z:
FormulaC37H71O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyAGYQVCRCWKYEDL-RETYVZARSA-N
InChIInChI=1S/C37H71O9P/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/h9,11,15
,17,35-36,38-39H,3-8,10,12-14,16,18-34H2,1-2H3,(H,41,42)/b11-9-,17-15-/t35-,36+/
m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC
CCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)