In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)],3'-[24:0/20:4(5Z,8Z,11Z,14Z)])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-tetracosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A3NR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1557.066131
Formula
C89H154O17P2
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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)
BLYPIGAZEATXCP-NYOJRRBRSA-N
InChi (Click to copy)
InChI=1S/C89H154O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-41-42-45-47-51-54-58-62-66-70-74-87(92)100-80-85(106-89(94)76-72-68-64-60-56-52-48-44-38-35-31-27-23-19-15-11-7-3)82-104-108(97,98)102-78-83(90)77-101-107(95,96)103-81-84(105-88(93)75-71-67-63-59-55-49-32-28-24-20-16-12-8-4)79-99-86(91)73-69-65-61-57-53-50-46-43-37-34-30-26-22-18-14-10-6-2/h10,14,22-23,26-28,32,34-35,37-38,46,48,50,52,57,60-61,64,83-85,90H,5-9,11-13,15-21,24-25,29-31,33,36,39-45,47,49,51,53-56,58-59,62-63,65-82H2,1-4H3,(H,95,96)(H,97,98)/b14-10-,26-22-,27-23-,32-28-,37-34-,38-35-,50-46-,52-48-,61-57-,64-60-/t83-,84-,85-/m1/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=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)CCCCCCCCCCCCCCCCCCCCCCC)(O)=O)=O

References

Other Databases