In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029ABV
Common NamePGP(O-14:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name1-tetradecyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-
sn-glycerol-3'-phosphate)
SynonymsPGP(O-36:5); PGP(O-14:0/22:5)
Exact Mass
834.4812 (neutral)    Calculate m/z:
FormulaC42H76O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyMSFWUXFZKDWCGN-JMKUMUJHSA-N
InChIInChI=1S/C42H76O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-
42(44)54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25
-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,40-41,43H,3-4,6,8-10,12,14-16,
19,22,25-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b7-5-,13-11-,18-17-,21-20-,24-23-/t40
-,41+/m0/s1
SMILES[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)C
OP(O)(O)=O)COCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)