| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-05-05 15:49:44 UTC |
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| Update Date | 2020-05-05 18:39:06 UTC |
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| BMDB ID | BMDB0109678 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | Docosadienoate (22:2n6) |
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| Description | (13Z,16Z)-docosadienoic acid, also known as 13Z,16Z-docosadienoate or C22:2N-6,9, 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 (13Z,16Z)-docosadienoic 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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| (13Z,16Z)-Docosa-13,16-dienoic acid | ChEBI | | 13Z,16Z-Docosadienoic acid | ChEBI | | C22:2N-6,9 | ChEBI | | cis-13,16 Docosadienoic acid | ChEBI | | (13Z,16Z)-Docosa-13,16-dienoate | Generator | | 13Z,16Z-Docosadienoate | Generator | | cis-13,16 Docosadienoate | Generator | | (13Z,16Z)-Docosadienoate | Generator | | (13Z,16Z)-13,16-Docosadienoate | HMDB | | (13Z,16Z)-13,16-Docosadienoic acid | HMDB | | (13Z,16Z)-Docosadienoic acid | HMDB | | Docosadienoate | HMDB | | Docosadienoic acid | HMDB | | FA(22:2(13Z,16Z)) | HMDB | | FA(22:2n6) | HMDB | | all-cis-13,16-Docosadienoate | HMDB | | all-cis-13,16-Docosadienoic acid | HMDB | | cis-13,cis-16-Docosadienoate | HMDB | | cis-13,cis-16-Docosadienoic acid | HMDB |
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| Chemical Formula | C22H40O2 |
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| Average Molecular Weight | 336.56 |
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| Monoisotopic Molecular Weight | 336.302830528 |
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| IUPAC Name | (13Z,16Z)-docosa-13,16-dienoic acid |
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| Traditional Name | 13,16-docosadienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O |
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| InChI Identifier | InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9- |
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| InChI Key | HVGRZDASOHMCSK-HZJYTTRNSA-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 | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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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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