In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[16:0/20:4(5Z,8Z,11Z,14Z)],3'-[24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)])
Systematic Name
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(15Z-tetracosenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019N7K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1585.097431
Formula
C91H158O17P2
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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)
ATWZBHPLURXEMW-CYRMQHMESA-N
InChi (Click to copy)
InChI=1S/C91H158O17P2/c1-5-9-13-17-21-25-29-33-36-39-41-42-44-46-48-52-56-60-64-68-72-76-89(94)102-82-87(108-91(96)78-74-70-66-62-58-54-50-47-43-40-37-34-30-26-22-18-14-10-6-2)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-32-28-24-20-16-12-8-4)107-90(95)77-73-69-65-61-57-53-49-45-38-35-31-27-23-19-15-11-7-3/h22-23,26-27,33-38,43,47,49,53-54,58,61,65-66,70,85-87,92H,5-21,24-25,28-32,39-42,44-46,48,50-52,55-57,59-60,62-64,67-69,71-84H2,1-4H3,(H,97,98)(H,99,100)/b26-22-,27-23-,36-33-,37-34-,38-35-,47-43-,53-49-,58-54-,65-61-,70-66-/t85-,86-,87-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)(O)=O)=O

References

Other Databases