In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)],3'-[14:1(9Z)/22:0])
Systematic Name
1'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-docosanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201A5NL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1501.003531
Formula
C85H146O17P2
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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)
IFNYWBPUAZBFMH-BFKPEXDZSA-N
InChi (Click to copy)
InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-32-35-38-39-42-45-48-52-56-60-64-68-72-84(89)101-80(75-95-82(87)69-65-61-57-53-49-28-24-20-16-12-8-4)77-99-103(91,92)97-73-79(86)74-98-104(93,94)100-78-81(102-85(90)71-67-63-59-55-51-47-44-41-37-34-31-27-23-19-15-11-7-3)76-96-83(88)70-66-62-58-54-50-46-43-40-36-33-30-26-22-18-14-10-6-2/h10,14,20,22-24,26-27,33-34,36-37,43-44,46-47,54-55,58-59,79-81,86H,5-9,11-13,15-19,21,25,28-32,35,38-42,45,48-53,56-57,60-78H2,1-4H3,(H,91,92)(H,93,94)/b14-10-,24-20-,26-22-,27-23-,36-33-,37-34-,46-43-,47-44-,58-54-,59-55-/t79-,80+,81+/m0/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(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)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O

References

Other Databases