In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[16:0/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)])
Systematic Name
1'-[1-hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP12019OFM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1442.925281
Formula
C81H136O17P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]

String Representations

InChiKey (Click to copy)
ARHHYNYUBNGGDR-LGPRRHIASA-N
InChi (Click to copy)
InChI=1S/C81H136O17P2/c1-5-9-13-17-21-25-29-32-34-36-37-39-40-43-47-50-54-58-62-66-79(84)92-71-76(97-80(85)67-63-59-55-51-45-28-24-20-16-12-8-4)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(72-91-78(83)65-61-57-53-49-46-42-31-27-23-19-15-11-7-3)98-81(86)68-64-60-56-52-48-44-41-38-35-33-30-26-22-18-14-10-6-2/h10,14,20-22,24-26,32-35,37,39,41,43-44,47,52,54,56,58,75-77,82H,5-9,11-13,15-19,23,27-31,36,38,40,42,45-46,48-51,53,55,57,59-74H2,1-4H3,(H,87,88)(H,89,90)/b14-10-,24-20-,25-21-,26-22-,34-32-,35-33-,39-37-,44-41-,47-43-,56-52-,58-54-/t75-,76+,77+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases