| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:01:45 UTC |
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| Update Date | 2020-05-11 20:40:12 UTC |
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| BMDB ID | BMDB0002823 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Docosatrienoic acid |
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| Description | Docosatrienoic acid, also known as docosatrienoate, belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Docosatrienoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (13E,16E,19E)-Docosa-13,16,19-trienoic acid | Kegg | | (13E,16E,19E)-Docosa-13,16,19-trienoate | Generator | | Docosatrienoate | Generator | | 13,16,19-Docosatrienoate | Generator |
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| Chemical Formula | C22H38O2 |
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| Average Molecular Weight | 334.544 |
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| Monoisotopic Molecular Weight | 334.287180464 |
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| IUPAC Name | (13E,16E,19E)-docosa-13,16,19-trienoic acid |
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| Traditional Name | docosatrienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+ |
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| InChI Key | WBBQTNCISCKUMU-IUQGRGSQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. |
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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 acids and conjugates |
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| Direct Parent | Very long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Very long-chain fatty acid
- Unsaturated fatty acid
- Straight chain fatty acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | - Adiposome
- Cell membrane
- Cytoplasm
- Membrane
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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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