In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP1201ARZV
Common NameCL(1'-[20:1(11Z)/14:0],3'-[14:1(9Z)/14:0])
Systematic Name1'-[1-(11Z-eicosenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-
tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(62:2); CL(14:0_14:0_14:1_20:1)
Exact Mass
1320.9096 (neutral)    Calculate m/z:
FormulaC71H134O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyUVBUUOSFSSNOQW-HJYQZCEKSA-N
InChIInChI=1S/C71H134O17P2/c1-5-9-13-17-21-25-29-30-31-32-33-34-38-40-44-48-52-56-69(
74)82-62-67(88-71(76)58-54-50-46-42-37-28-24-20-16-12-8-4)64-86-90(79,80)84-60-6
5(72)59-83-89(77,78)85-63-66(87-70(75)57-53-49-45-41-36-27-23-19-15-11-7-3)61-81
-68(73)55-51-47-43-39-35-26-22-18-14-10-6-2/h18,22,30-31,65-67,72H,5-17,19-21,23
-29,32-64H2,1-4H3,(H,77,78)(H,79,80)/b22-18-,31-30-/t65-,66+,67+/m0/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O)(O)(OC[C@](O)([H
])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)