In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[24:1(15Z)/20:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)])
Systematic Name
1'-[1-(15Z-tetracosenoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201B00A
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1591.144381
Formula
C91H164O17P2
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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)
UNQRLXFEWALHKM-XPXONMDVSA-N
InChi (Click to copy)
InChI=1S/C91H164O17P2/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/h10,14,22,26,33-34,36-38,47-48,51,59,63,85-87,92H,5-9,11-13,15-21,23-25,27-32,35,39-46,49-50,52-58,60-62,64-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,26-22-,37-33-,38-34-,47-36-,51-48-,63-59-/t85-,86+,87+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/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