In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:5(4Z,7Z,10Z,13Z,16Z)/14:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BIML
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)
OEKAWKACEFWTRB-RXWQMINLSA-N
InChi (Click to copy)
InChI=1S/C85H144O17P2/c1-5-9-13-17-21-25-29-32-35-38-39-42-44-47-51-54-58-62-66-70-82(87)95-75-80(101-84(89)71-67-63-59-55-49-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)72-68-64-60-56-52-48-45-41-37-34-31-27-23-19-15-11-7-3)76-96-83(88)69-65-61-57-53-50-46-43-40-36-33-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,32-37,39,42-43,46-47,51,53,57-58,62,79-81,86H,5-9,11-13,15-20,23-24,27-31,38,40-41,44-45,48-50,52,54-56,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,35-32-,36-33-,37-34-,42-39-,46-43-,51-47-,57-53-,62-58-/t79-,80-,81-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases