In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[16:0/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/18:0])
Systematic Name
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-octadecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019OFP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1501.003531
Formula
C85H146O17P2
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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)
KFXOYPRJPAABEO-QMJHRPCESA-N
InChi (Click to copy)
InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-36-38-39-41-43-46-50-54-58-62-66-70-83(88)96-76-81(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(75-95-82(87)69-65-61-57-53-49-45-32-28-24-20-16-12-8-4)102-85(90)72-68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2/h10,14,21-22,25-26,33-34,36-37,39,41,44,46,48,50,56,58,60,62,79-81,86H,5-9,11-13,15-20,23-24,27-32,35,38,40,42-43,45,47,49,51-55,57,59,61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,25-21-,26-22-,36-33-,37-34-,41-39-,48-44-,50-46-,60-56-,62-58-/t79-,80-,81-/m1/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(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases