| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:22:09 UTC |
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| Update Date | 2020-06-04 19:04:51 UTC |
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| BMDB ID | BMDB0006461 |
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| Secondary Accession Numbers | - BMDB0062649
- BMDB06461
- BMDB62649
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| Metabolite Identification |
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| Common Name | Linoelaidylcarnitine |
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| Description | Linoelaidyl carnitine, also known as acylcarnitine C18:2, belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. Thus, linoelaidyl carnitine is considered to be a fatty ester lipid molecule. Linoelaidyl carnitine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Linoelaidyl carnitine is a potentially toxic compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3-[(9E,12E)-Octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoate | ChEBI | | Acylcarnitine C18:2 | ChEBI | | 3-[(9E,12E)-Octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoic acid | Generator | | C18:2 Carnitine | HMDB | | L-Linoleoylcarnitine | HMDB | | Linoelaidyl carnitine | HMDB | | Linoleoylcarnitine | HMDB | | Linoleylcarnitine | HMDB | | O-Linoelaidylcarnitine | HMDB |
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| Chemical Formula | C25H45NO4 |
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| Average Molecular Weight | 423.6291 |
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| Monoisotopic Molecular Weight | 423.334858933 |
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| IUPAC Name | 3-[(9E,12E)-octadeca-9,12-dienoyloxy]-4-(trimethylazaniumyl)butanoate |
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| Traditional Name | 3-[(9E,12E)-octadeca-9,12-dienoyloxy]-4-(trimethylammonio)butanoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C |
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| InChI Identifier | 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+ |
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| InChI Key | MJLXQSQYKZWZCB-OKLKQMLOSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acid esters |
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| Direct Parent | Acyl carnitines |
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| Alternative Parents | |
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| Substituents | - Acyl-carnitine
- Dicarboxylic acid or derivatives
- Tetraalkylammonium salt
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid salt
- Carboxylic acid derivative
- Carboxylic acid
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Amine
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
- Mitochondria
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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