In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP12019AA2
Common NameCL(1'-[14:0/14:0],3'-[14:1(9Z)/20:0])
Systematic Name1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-
eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(62:1); CL(14:0_14:0_14:1_20:0)
Exact Mass
1322.9253 (neutral)    Calculate m/z:
FormulaC71H136O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyQRCFTGBOPHOGJR-FVAISCRTSA-N
InChIInChI=1S/C71H136O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-42-46-50-54-58-71(
76)88-67(62-82-69(74)56-52-48-44-40-36-27-23-19-15-11-7-3)64-86-90(79,80)84-60-6
5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-37-28-24-20-16-12-8-4)61-81
-68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h19,23,65-67,72H,5-18,20-22,24-64H2,
1-4H3,(H,77,78)(H,79,80)/b23-19-/t65-,66-,67-/m1/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[
C@]([H])(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)