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CHEBI:77561 - trioleoyl 2-monolysocardiolipin
| Formula | C63H118O16P2 |
| Net Charge | 0 |
| Average Mass | 1193.569 |
| Monoisotopic Mass | 1192.78951 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C63H118O16P2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-61(66)73-52-58(64)53-75-80(69,70)76-54-59(65)55-77-81(71,72)78-57-60(79-63(68)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-74-62(67)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,58-60,64-65H,4-24,31-57H2,1-3H3,(H,69,70)(H,71,72)/b28-25-,29-26-,30-27-/t58-,59?,60-/m1/s1 |
| InChIKey | NGKFXJNJRVPYMN-IYJDKBLTSA-N |
| 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trioleoyl 2-monolysocardiolipin (CHEBI:77561) has functional parent oleic acid (CHEBI:16196) |
| trioleoyl 2-monolysocardiolipin (CHEBI:77561) is a 2-monolysocardiolipin (CHEBI:60430) |
| trioleoyl 2-monolysocardiolipin (CHEBI:77561) is conjugate acid of trioleoyl 2-monolysocardiolipin(2−) (CHEBI:77259) |
| Incoming Relation(s) |
| trioleoyl 2-monolysocardiolipin(2−) (CHEBI:77259) is conjugate base of trioleoyl 2-monolysocardiolipin (CHEBI:77561) |
| IUPAC Name |
|---|
| (9Z,21R,33R,44Z)-24,27,30,33-tetrahydroxy-24,30-dioxido-18,36-dioxo-19,23,25,29,31,35-hexaoxa-24λ5,30λ5-diphosphatripentaconta-9,44-dien-21-yl (9Z)-octadec-9-enoate |
| Synonyms | Source |
|---|---|
| 1'-[1,2-di(9Z)-octadecenoyl-sn-glycero-3-phospho]-3'-[1-(9Z)-octadecenoyl-sn-glycero-3-phospho]glycerol | ChEBI |
| trioleyl lysocardiolipin | ChEBI |