In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[24:1(15Z)/14:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)])
Systematic Name
1'-[1-(15Z-tetracosenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BYH7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1529.034831
Formula
C87H150O17P2
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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)
PTCYFDQBKRKADN-JDZJRYHYSA-N
InChi (Click to copy)
InChI=1S/C87H150O17P2/c1-5-9-13-17-21-25-29-32-35-38-39-40-41-44-46-49-53-56-60-64-68-72-84(89)97-77-82(103-86(91)73-69-65-61-57-51-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-47-43-37-34-31-27-23-19-15-11-7-3)78-98-85(90)71-67-63-59-55-52-48-45-42-36-33-30-26-22-18-14-10-6-2/h10,14,22-23,26-27,32-37,45,47-48,50,55,58-59,62,81-83,88H,5-9,11-13,15-21,24-25,28-31,38-44,46,49,51-54,56-57,60-61,63-80H2,1-4H3,(H,93,94)(H,95,96)/b14-10-,26-22-,27-23-,35-32-,36-33-,37-34-,48-45-,50-47-,59-55-,62-58-/t81-,82-,83-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC/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\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)=O)=O

References

Other Databases