In-Silico Structure Database (LMISSD)
Common Name
CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[20:0/18:3(6Z,9Z,12Z)])
Systematic Name
1'-[1-2-di-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-eicosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A51O
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)
LYDCKFQWFRGQKN-WSCLEYIGSA-N
InChi (Click to copy)
InChI=1S/C87H144O17P2/c1-5-9-13-17-21-25-29-33-37-40-44-47-51-55-59-63-67-71-84(89)97-77-82(103-86(91)73-69-65-61-57-53-49-43-36-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-3)78-98-85(90)72-68-64-60-56-52-48-45-41-38-34-30-26-22-18-14-10-6-2/h10-11,14-15,22-24,26-28,34-36,38-39,43,45-46,48,50,53,56-58,60,62,81-83,88H,5-9,12-13,16-21,25,29-33,37,40-42,44,47,49,51-52,54-55,59,61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,15-11-,26-22-,27-23-,28-24-,38-34-,39-35-,43-36-,48-45-,50-46-,57-53-,60-56-,62-58-/t81-,82+,83+/m0/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(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(O)=O)=O