In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP1201AXAL
Common NameCL(1'-[20:4(5Z,8Z,11Z,14Z)/14:0],3'-[14:1(9Z)/18:3(6Z,9Z,12Z)])
Systematic Name1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],
3'-[1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-
sn-glycerol
SynonymsCL(66:8); CL(14:0_14:1_18:3_20:4)
Exact Mass
1364.8783 (neutral)    Calculate m/z:
FormulaC75H130O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyWKRKHAOQJLDAQL-AQRINANXSA-N
InChIInChI=1S/C75H130O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-37-41-44-48-52-56-60-73(
78)86-66-70(91-74(79)61-57-53-49-45-40-28-24-20-16-12-8-4)67-89-93(81,82)87-63-6
9(76)64-88-94(83,84)90-68-71(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3)92
-75(80)62-58-54-50-46-42-38-35-32-30-26-22-18-14-10-6-2/h19,21-23,25-26,31-33,35
-37,42,44,46,48,69-71,76H,5-18,20,24,27-30,34,38-41,43,45,47,49-68H2,1-4H3,(H,81
,82)(H,83,84)/b23-19-,25-21-,26-22-,33-31-,35-32-,37-36-,46-42-,48-44-/t69-,70-,
71-/m1/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[
C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C
CCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)