In-Silico Structure database (LMISSD)
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LM ID | LMGP12019COU |
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Common Name | CL(1'-[14:0/18:3(9Z,12Z,15Z)],3'-[20:5(5Z,8Z,11Z,14Z,17Z)/14:0]) |
Systematic Name | 1'-[1-tetradecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho],3'- [1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]- sn-glycerol |
Synonyms | CL(66:8); CL(14:0_14:0_18:3_20:5) |
Exact Mass | |
Formula | C75H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | GRBSMRNLMALWTK-SDOHPYFUSA-N |
InChI | InChI=1S/C75H130O17P2/c1-5-9-13-17-21-25-29-31-33-34-36-37-41-44-48-52-56-60-73( 78)86-66-70(91-74(79)61-57-53-49-45-40-28-24-20-16-12-8-4)67-89-93(81,82)87-63-6 9(76)64-88-94(83,84)90-68-71(65-85-72(77)59-55-51-47-43-39-27-23-19-15-11-7-3)92 -75(80)62-58-54-50-46-42-38-35-32-30-26-22-18-14-10-6-2/h9-10,13-14,21-22,25-26, 31-33,35-37,44,48,69-71,76H,5-8,11-12,15-20,23-24,27-30,34,38-43,45-47,49-68H2,1 -4H3,(H,81,82)(H,83,84)/b13-9-,14-10-,25-21-,26-22-,33-31-,35-32-,37-36-,48-44-/ t69-,70+,71+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/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) |