In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[14:1(9Z)/18:3(6Z,9Z,12Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)])
Systematic Name
1'-[1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019HRJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1414.893981
Formula
C79H132O17P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]

String Representations

InChiKey (Click to copy)
KEOIWRBDWHAYQM-BMTMIFHYSA-N
InChi (Click to copy)
InChI=1S/C79H132O17P2/c1-5-9-13-17-21-25-29-32-34-35-36-37-39-41-44-48-52-56-60-64-77(82)90-70-75(95-78(83)65-61-57-53-49-45-40-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-28-24-20-16-12-8-4)96-79(84)66-62-58-54-50-46-42-38-33-30-26-22-18-14-10-6-2/h9,13,20-22,24-27,31-34,36-38,41,44,46,50,52,56,73-75,80H,5-8,10-12,14-19,23,28-30,35,39-40,42-43,45,47-49,51,53-55,57-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,24-20-,25-21-,26-22-,31-27-,34-32-,37-36-,38-33-,44-41-,50-46-,56-52-/t73-,74-,75-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases