In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059AEQ
Common NameLPGP(0:0/34:0)
Systematic Name2-tetratriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms-
Exact Mass
816.5282 (neutral)    Calculate m/z:
FormulaC40H82O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyXBUQVYYRPVXBPL-IOLBBIBUSA-N
InChIInChI=1S/C41H84O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2
3-24-25-26-27-28-29-30-31-32-33-34-41(44)53-40(35-42)38-52-55(48,49)51-37-39(43)
36-50-54(45,46)47/h39-40,42-43H,2-38H2,1H3,(H,48,49)(H2,45,46,47)/t39-,40+/m0/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)
CO)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)