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CHEBI:192195 - CL(i-13:0/i-24:0/i-13:0/18:2(9Z,11Z))
| Formula | C77H146O17P2 |
| Net Charge | 0 |
| Average Mass | 1405.946 |
| Monoisotopic Mass | 1405.00353 |
| SMILES | CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C77H146O17P2/c1-8-9-10-11-12-13-14-15-20-24-27-30-37-46-53-60-76(81)93-72(64-87-74(79)58-51-44-39-32-35-42-49-56-69(4)5)66-91-95(83,84)89-62-71(78)63-90-96(85,86)92-67-73(65-88-75(80)59-52-45-40-33-36-43-50-57-70(6)7)94-77(82)61-54-47-38-31-28-25-22-19-17-16-18-21-23-26-29-34-41-48-55-68(2)3/h13-15,20,68-73,78H,8-12,16-19,21-67H2,1-7H3,(H,83,84)(H,85,86)/b14-13-,20-15-/t71?,72-,73-/m1/s1 |
| InChIKey | RTICXKIIOLYPAR-JSFHJSBOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Marine plankton environmental sample (ncbitaxon:632957) | - | MetaboLights (MTBLS4424) | Found in endometabolome. |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CL(i-13:0/i-24:0/i-13:0/18:2(9Z,11Z)) (CHEBI:192195) is a cardiolipin (CHEBI:28494) |
| IUPAC Name |
|---|
| [(2R)-1-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(11-methyldodecanoyloxy)-2-[(9Z,11Z)-octadeca-9,11-dienoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 22-methyltricosanoate |