In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[18:0/20:4(5Z,8Z,11Z,14Z)],3'-[18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)])
Systematic Name
1'-[1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019YL7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1498.987881
Formula
C85H144O17P2
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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)
GULPXZVIHNXIGQ-HZHYBKNSSA-N
InChi (Click to copy)
InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-47-51-55-59-63-67-71-84(89)101-80(75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(76-96-83(88)70-66-62-58-54-50-46-42-36-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,33-35,37-38,41,43-44,47-48,55-56,59-60,79-81,86H,5-8,10-12,14-20,24,28-32,36,39-40,42,45-46,49-54,57-58,61-78H2,1-4H3,(H,91,92)(H,93,94)/b13-9-,25-21-,26-22-,27-23-,37-33-,38-34-,41-35-,47-43-,48-44-,59-55-,60-56-/t79-,80+,81+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=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\C/C=C\CCCCC)(O)=O)=O

References

Other Databases