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CHEBI:84095 - 2,6-dimethylheptanoyl carnitine
| Formula | C16H31NO4 |
| Net Charge | 0 |
| Average Mass | 301.427 |
| Monoisotopic Mass | 301.22531 |
| SMILES | CC(C)CCCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| InChI | InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3 |
| InChIKey | QBYXBONNCVATNQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood serum (BTO:0000133) | MetaboLights (MTBLS90) | ||
| blood serum (BTO:0000133) | MetaboLights (MTBLS93) | From MetaboLights | |
| blood serum (BTO:0000133) | MetaboLights (MTBLS90) | From MetaboLights | |
| blood serum (BTO:0000133) | MetaboLights (MTBLS124) | From MetaboLights |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2,6-dimethylheptanoyl carnitine (CHEBI:84095) has role human blood serum metabolite (CHEBI:85234) |
| 2,6-dimethylheptanoyl carnitine (CHEBI:84095) has role human urinary metabolite (CHEBI:84087) |
| 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a ammonium betaine (CHEBI:35284) |
| 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a C9-acylcarnitine (CHEBI:86493) |
| 2,6-dimethylheptanoyl carnitine (CHEBI:84095) is a carboxylic ester (CHEBI:33308) |
| Incoming Relation(s) |
| (R)-2,6-dimethylheptanoylcarnitine (CHEBI:84843) is a 2,6-dimethylheptanoyl carnitine (CHEBI:84095) |
| IUPAC Name |
|---|
| 3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate |
| Synonyms | Source |
|---|---|
| 3-[(2,6-dimethylheptanoyl)oxy]-4-(trimethylazaniumyl)butanoate | IUPAC |
| O-(2,6-dimethylheptanoyl)carnitine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006320 | HMDB |
| LMFA07070029 | LIPID MAPS |
| FDB023887 | FooDB |
| 21239016 | ChemSpider |
| Citations |
|---|