In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/20:0])
Systematic Name
1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201AFMO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1522.987881
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
String Representations
InChiKey (Click to copy)
MSUZAPAAUPRBAZ-AVNVKTGBSA-N
InChi (Click to copy)
InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-48-52-56-60-64-68-72-85(90)98-78-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)80-102-106(95,96)100-76-81(88)75-99-105(93,94)101-79-82(77-97-84(89)71-67-63-59-55-51-47-43-36-32-28-24-20-16-12-8-4)103-86(91)73-69-65-61-57-53-49-45-41-38-34-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,24-26,28,33-34,36-38,43-45,48-49,51,55-57,60-61,81-83,88H,5-8,11-12,15-20,23,27,29-32,35,39-42,46-47,50,52-54,58-59,62-80H2,1-4H3,(H,93,94)(H,95,96)/b13-9-,14-10-,25-21-,26-22-,28-24-,37-33-,38-34-,43-36-,48-44-,49-45-,55-51-,60-56-,61-57-/t81-,82-,83-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O