In-Silico Structure database (LMISSD)
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LM ID | LMGP12019DSY |
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Common Name | CL(1'-[14:0/20:5(5Z,8Z,11Z,14Z,17Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:0]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phospho],3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero- 3-phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:0_14:0_20:5_20:5) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | QTFHNFZNLTTXAM-LUIUPPAESA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-46-50-54-58-62-75( 80)88-68-72(93-76(81)63-59-55-51-47-42-28-24-20-16-12-8-4)69-91-95(83,84)89-65-7 1(78)66-90-96(85,86)92-70-73(67-87-74(79)61-57-53-49-45-41-27-23-19-15-11-7-3)94 -77(82)64-60-56-52-48-44-40-38-36-34-32-30-26-22-18-14-10-6-2/h9-10,13-14,21-22, 25-26,31-34,37-40,46,48,50,52,71-73,78H,5-8,11-12,15-20,23-24,27-30,35-36,41-45, 47,49,51,53-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,14-10-,25-21-,26-22-,33-31-,34- 32-,39-37-,40-38-,50-46-,52-48-/t71-,72+,73+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCC)=O)(O)( OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C =C\C/C=C\CC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |