| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:33:02 UTC |
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| Update Date | 2020-04-22 15:48:41 UTC |
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| BMDB ID | BMDB0012140 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | (R) 2,3-Dihydroxy-3-methylvalerate |
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| Description | (R)-2,3-Dihydroxy-3-methylvalerate belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Based on a literature review a small amount of articles have been published on (R)-2,3-Dihydroxy-3-methylvalerate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2R,3R)-2,3-Dihydroxy-3-methylvaleric acid | ChEBI | | (2R,3R)-2,3-Dihydroxy-3-methylpentanoate | Kegg | | (2R,3R)-2,3-Dihydroxy-3-methylvalerate | Generator | | (2R,3R)-2,3-Dihydroxy-3-methylpentanoic acid | Generator | | (R)-2,3-Dihydroxy-3-methylvaleric acid | Generator | | (R) 2,3-Dihydroxy-3-methylvaleric acid | Generator, HMDB | | (R)-2,3-Dihydroxy-3-methylpentanoate | HMDB | | (R)-2,3-Dihydroxy-3-methylpentanoic acid | HMDB | | (R)-2,3-Dihydroxy-3-methylvalerate | HMDB, KEGG | | 1-keto-2-Methylvalerate | HMDB | | 2,3-Dihydroxy-3-methyl-valeric acid | HMDB | | 2,3-Dihydroxy-3-methylpentanoate | HMDB | | 2,3-Dihydroxy-3-methylpentanoic acid | HMDB | | 2,3-Dihydroxy-valerianic acid | HMDB | | 4,5-Dideoxy-3-C-methyl-pentonic acid | HMDB | | alpha,beta-Dihydroxy-beta-methylvaleric acid | HMDB | | CID8 | HMDB | | DMV | HMDB |
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| Chemical Formula | C6H12O4 |
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| Average Molecular Weight | 148.1571 |
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| Monoisotopic Molecular Weight | 148.073558872 |
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| IUPAC Name | (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid |
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| Traditional Name | (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid |
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| CAS Registry Number | 562-43-6 |
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| SMILES | CC[C@@](C)(O)[C@@H](O)C(O)=O |
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| InChI Identifier | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1 |
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| InChI Key | PDGXJDXVGMHUIR-UJURSFKZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
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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 | Hydroxy fatty acids |
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| Alternative Parents | |
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| Substituents | - Branched fatty acid
- Methyl-branched fatty acid
- Short-chain hydroxy acid
- Hydroxy fatty acid
- Alpha-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Tertiary alcohol
- 1,2-diol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- 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 | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Adiposome
- Cell membrane
- Cytoplasm
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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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