In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04029AAD
Common NamePG(O-14:0/13:0)
Systematic Name1-tetradecyl-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(O-27:0); PG(O-14:0/13:0)
Exact Mass
638.4523 (neutral)    Calculate m/z:
FormulaC33H67O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-alkyl,2-acylglycerophosphoglycerols [GP0402]
PubChem Compound ID (CID)-
InChIKeyREDNKRRLNVDUFV-AJQTZOPKSA-N
InChIInChI=1S/C33H67O9P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-39-29-32(30-41-43(37,38
)40-28-31(35)27-34)42-33(36)25-23-21-19-17-14-12-10-8-6-4-2/h31-32,34-35H,3-30H2
,1-2H3,(H,37,38)/t31-,32+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)