In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)])
Systematic Name
1'-[1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201AKY3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1462.893981
Formula
C83H132O17P2
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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)
VMJNBRVUIVJHBG-JDGIGKSMSA-N
InChi (Click to copy)
InChI=1S/C83H132O17P2/c1-5-9-13-17-21-25-29-32-35-37-38-40-42-45-49-52-56-60-64-68-81(86)93-73-78(99-82(87)69-65-61-57-53-47-28-24-20-16-12-8-4)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(74-94-80(85)67-63-59-55-51-48-44-41-34-31-27-23-19-15-11-7-3)100-83(88)70-66-62-58-54-50-46-43-39-36-33-30-26-22-18-14-10-6-2/h9-11,13-15,20-27,32-36,38,40-41,43,45-46,49,54,56,58,60,77-79,84H,5-8,12,16-19,28-31,37,39,42,44,47-48,50-53,55,57,59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,14-10-,15-11-,24-20-,25-21-,26-22-,27-23-,35-32-,36-33-,40-38-,41-34-,46-43-,49-45-,58-54-,60-56-/t77-,78+,79+/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(CCCCCCC/C=C\C/C=C\C/C=C\CC)=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\C/C=C\CC)(O)=O)=O

References

Other Databases