In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)],3'-[14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)])
Systematic Name
1'-[1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201ABAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1464.909631
Formula
C83H134O17P2
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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)
MOCXBXAOEITQNS-ZMVVUUBBSA-N
InChi (Click to copy)
InChI=1S/C83H134O17P2/c1-5-9-13-17-21-25-29-32-35-37-38-40-43-46-50-54-58-62-66-70-83(88)100-79(74-94-81(86)68-64-60-56-52-48-44-41-34-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(73-93-80(85)67-63-59-55-51-47-28-24-20-16-12-8-4)99-82(87)69-65-61-57-53-49-45-42-39-36-33-30-26-22-18-14-10-6-2/h9-10,13-14,20-27,32-36,38,40-42,45-46,50,53,57-58,62,77-79,84H,5-8,11-12,15-19,28-31,37,39,43-44,47-49,51-52,54-56,59-61,63-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,14-10-,24-20-,25-21-,26-22-,27-23-,35-32-,36-33-,40-38-,41-34-,45-42-,50-46-,57-53-,62-58-/t77-,78+,79+/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(CCCCCCC/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O

References

Other Databases