In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[14:1(9Z)/18:3(9Z,12Z,15Z)],3'-[16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
Systematic Name
1'-[1-(9Z-tetradecenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019HU2
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)
PRBBTJPVOQSANB-DTORRXKRSA-N
InChi (Click to copy)
InChI=1S/C79H132O17P2/c1-5-9-13-17-21-25-29-32-34-35-36-37-39-42-46-50-54-58-62-66-79(84)96-75(70-90-77(82)64-60-56-52-48-44-40-31-27-23-19-15-11-7-3)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)95-78(83)65-61-57-53-49-45-41-38-33-30-26-22-18-14-10-6-2/h9-10,13-14,20-22,24-27,31-34,36-38,42,46,54,58,73-75,80H,5-8,11-12,15-19,23,28-30,35,39-41,43-45,47-53,55-57,59-72H2,1-4H3,(H,85,86)(H,87,88)/b13-9-,14-10-,24-20-,25-21-,26-22-,31-27-,34-32-,37-36-,38-33-,46-42-,58-54-/t73-,74-,75-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O

References

Other Databases