In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AAC
Common NamePG(O-14:0/12:0)
Systematic Name1-tetradecyl-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-26:0); PG(O-14:0/12:0)
Exact Mass
624.4366 (neutral)    Calculate m/z:
FormulaC32H65O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyNUJRPPOMOMETQJ-IOWSJCHKSA-N
InChIInChI=1S/C32H65O9P/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-38-28-31(29-40-42(36,37
)39-27-30(34)26-33)41-32(35)24-22-20-18-16-12-10-8-6-4-2/h30-31,33-34H,3-29H2,1-
2H3,(H,36,37)/t30-,31+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)