In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[20:1(11Z)/18:3(9Z,12Z,15Z)])
Systematic Name
1'-[1-eicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-(11Z-eicosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201ARAR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1557.066131
Formula
C89H154O17P2
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
RJXGTTZCIQZPQN-BHQPLATGSA-N
InChi (Click to copy)
InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-48-52-56-60-64-68-72-76-89(94)106-85(80-100-87(92)74-70-66-62-58-54-50-47-43-39-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,12-13,16,21,24-25,28,33-34,36-38,41,44-45,52,56,64,68,83-85,90H,5-8,10-11,14-15,17-20,22-23,26-27,29-32,35,39-40,42-43,46-51,53-55,57-63,65-67,69-82H2,1-4H3,(H,95,96)(H,97,98)/b13-9-,16-12-,25-21-,28-24-,37-33-,38-34-,44-41-,45-36-,56-52-,68-64-/t83-,84+,85+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)=O)=O

References

Other Databases