In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[24:0/22:1(13Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
Systematic Name
1'-[1-tetracosanoyl-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BW5S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1693.191331
Formula
C99H170O17P2
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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)
LFOQJDCBIYBSNL-LKEWNXTHSA-N
InChi (Click to copy)
InChI=1S/C99H170O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-46-50-52-56-60-64-68-72-76-80-84-97(102)110-90-95(116-99(104)86-82-78-74-70-66-62-58-54-49-44-40-36-32-28-24-20-16-12-8-4)92-114-118(107,108)112-88-93(100)87-111-117(105,106)113-91-94(115-98(103)85-81-77-73-69-65-61-57-53-48-43-39-35-31-27-23-19-15-11-7-3)89-109-96(101)83-79-75-71-67-63-59-55-51-47-42-38-34-30-26-22-18-14-10-6-2/h11,15,22-23,26-27,34-36,38-40,47-48,51,53,59,61,63,65,71,73,75,77,93-95,100H,5-10,12-14,16-21,24-25,28-33,37,41-46,49-50,52,54-58,60,62,64,66-70,72,74,76,78-92H2,1-4H3,(H,105,106)(H,107,108)/b15-11-,26-22-,27-23-,38-34-,39-35-,40-36-,51-47-,53-48-,63-59-,65-61-,75-71-,77-73-/t93-,94+,95+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCC)=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\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases