In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:1(11Z)/18:3(6Z,9Z,12Z)],3'-[24:0/20:5(5Z,8Z,11Z,14Z,17Z)])
Systematic Name
1'-[1-(11Z-eicosenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho],3'-[1-tetracosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201AT6U
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1587.113081
Formula
C91H160O17P2
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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)
DQZMZPVWBUUIGH-FANAGBDJSA-N
InChi (Click to copy)
InChI=1S/C91H160O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-42-43-46-49-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-45-39-35-31-27-23-19-15-11-7-3)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(107-90(95)77-73-69-65-61-57-53-47-36-32-28-24-20-16-12-8-4)81-101-88(93)75-71-67-63-59-55-51-48-44-38-34-30-26-22-18-14-10-6-2/h11,15,23-24,27-28,34-36,38-39,47,50,54,57,61-62,66,85-87,92H,5-10,12-14,16-22,25-26,29-33,37,40-46,48-49,51-53,55-56,58-60,63-65,67-84H2,1-4H3,(H,97,98)(H,99,100)/b15-11-,27-23-,28-24-,38-34-,39-35-,47-36-,54-50-,61-57-,66-62-/t85-,86-,87-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCC)=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)CCCCCCCCCCCCCCCCCCCCCCC)(O)=O)=O

References

Other Databases