In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201AXF8 |
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Common Name | CL(1'-[20:4(5Z,8Z,11Z,14Z)/14:0],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tetradecanoyl-sn-glycero-3-phospho], 3'-[1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3- phospho]-sn-glycerol |
Synonyms | CL(68:10); CL(14:0_14:1_20:4_20:5) |
Exact Mass | |
Formula | C77H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | UECJRJBAXOXEDL-DEWJNAMHSA-N |
InChI | InChI=1S/C77H130O17P2/c1-5-9-13-17-21-25-29-31-33-35-37-39-43-45-49-53-57-61-74( 79)87-67-72(93-76(81)63-59-55-51-47-41-27-23-19-15-11-7-3)69-91-95(83,84)89-65-7 1(78)66-90-96(85,86)92-70-73(94-77(82)64-60-56-52-48-42-28-24-20-16-12-8-4)68-88 -75(80)62-58-54-50-46-44-40-38-36-34-32-30-26-22-18-14-10-6-2/h9,13,19,21-23,25- 26,31-34,37-40,45-46,49-50,71-73,78H,5-8,10-12,14-18,20,24,27-30,35-36,41-44,47- 48,51-70H2,1-4H3,(H,83,84)(H,85,86)/b13-9-,23-19-,25-21-,26-22-,33-31-,34-32-,39 -37-,40-38-,49-45-,50-46-/t71-,72+,73+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(O)(OC[ C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)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) |