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CHEBI:84098 - O-linoleyl-L-carnitine
| Formula | C25H45NO4 |
| Net Charge | 0 |
| Average Mass | 423.638 |
| Monoisotopic Mass | 423.33486 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C |
| InChI | InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1 |
| InChIKey | MJLXQSQYKZWZCB-DQFWFXSYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (22806411) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| O-linoleyl-L-carnitine (CHEBI:84098) has functional parent linoleic acid (CHEBI:17351) |
| O-linoleyl-L-carnitine (CHEBI:84098) has role human metabolite (CHEBI:77746) |
| O-linoleyl-L-carnitine (CHEBI:84098) has role human urinary metabolite (CHEBI:84087) |
| O-linoleyl-L-carnitine (CHEBI:84098) is a O-octadecadienoyl-L-carnitine (CHEBI:85463) |
| IUPAC Name |
|---|
| (3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoate |
| Synonyms | Source |
|---|---|
| Decadienylcarnitine | HMDB |
| Octadecadienyl-L-carnitine | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006469 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4007077 | Reaxys |
| CAS:36816-10-1 | ChemIDplus |
| Citations |
|---|