In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[18:2(9Z,12Z)/24:1(15Z)],3'-[18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)])
Systematic Name
1'-[1-(9Z,12Z-octadecadienoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201ABWT
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)
FQLXMLFZZKSMSV-RQXWJTJXSA-N
InChi (Click to copy)
InChI=1S/C91H158O17P2/c1-5-9-13-17-21-25-29-33-37-39-41-42-44-46-50-54-58-62-66-70-74-78-91(96)108-87(82-102-89(94)76-72-68-64-60-56-52-48-36-32-28-24-20-16-12-8-4)84-106-110(99,100)104-80-85(92)79-103-109(97,98)105-83-86(81-101-88(93)75-71-67-63-59-55-51-47-35-31-27-23-19-15-11-7-3)107-90(95)77-73-69-65-61-57-53-49-45-43-40-38-34-30-26-22-18-14-10-6-2/h10,14,22,24,26,28,33-38,43,45,47-48,53,57,65,69,85-87,92H,5-9,11-13,15-21,23,25,27,29-32,39-42,44,46,49-52,54-56,58-64,66-68,70-84H2,1-4H3,(H,97,98)(H,99,100)/b14-10-,26-22-,28-24-,37-33-,38-34-,45-43-,47-35-,48-36-,57-53-,69-65-/t85-,86+,87+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=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)CCCCCCC/C=C\CCCCCCCC)(O)=O)=O

References

Other Databases