| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:27:40 UTC |
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| Update Date | 2020-03-13 16:43:52 UTC |
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| BMDB ID | BMDB0006939 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 13(S)-HODE |
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| Description | 13(R)-HODE, also known as (13R)-hode, belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 13(R)-hode is considered to be an octadecanoid lipid molecule. 13(R)-HODE 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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| (13R)-HODE | ChEBI | | (13R)-Hydroxy-(9Z,11E)-octadecadienoic acid | ChEBI | | (9Z,11E,13R)-13-Hydroxyoctadecadienoic acid | ChEBI | | (13R)-Hydroxy-(9Z,11E)-octadecadienoate | Generator | | (9Z,11E,13R)-13-Hydroxyoctadecadienoate | Generator |
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| Chemical Formula | C18H32O3 |
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| Average Molecular Weight | 296.451 |
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| Monoisotopic Molecular Weight | 296.23514489 |
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| IUPAC Name | (9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoic acid |
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| Traditional Name | (9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H]\C(CCCCCCCC(O)=O)=C(/[H])\C(\[H])=C(/[H])[C@]([H])(O)CCCCC |
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| InChI Identifier | InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m1/s1 |
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| InChI Key | HNICUWMFWZBIFP-PIHGWCCBSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
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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 | Lineolic acids and derivatives |
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| Direct Parent | Lineolic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Octadecanoid
- Long-chain fatty acid
- Hydroxy fatty acid
- Fatty acid
- Unsaturated fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- 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 | 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 | 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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