| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:55:23 UTC |
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| Update Date | 2020-04-22 15:11:01 UTC |
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| BMDB ID | BMDB0002441 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3,3-Dimethylglutaric acid |
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| Description | 3,3-Dimethylglutaric acid belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Based on a literature review a significant number of articles have been published on 3,3-Dimethylglutaric acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 3,3-Dimethylglutarate | Generator | | 3,3-Dimethylpentanedioate | HMDB | | 3,3-Dimethylpentanedioic acid | HMDB | | b,b-Dimethylglutarate | HMDB | | b,b-Dimethylglutaric acid | HMDB | | 3,3-Dimethyl-glutarate | Generator, HMDB |
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| Chemical Formula | C7H12O4 |
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| Average Molecular Weight | 160.1678 |
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| Monoisotopic Molecular Weight | 160.073558872 |
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| IUPAC Name | 3,3-dimethylpentanedioic acid |
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| Traditional Name | β,β-dimethylglutaric acid |
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| CAS Registry Number | 4839-46-7 |
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| SMILES | CC(C)(CC(O)=O)CC(O)=O |
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| InChI Identifier | InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11) |
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| InChI Key | DUHQIGLHYXLKAE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. |
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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 | Methyl-branched fatty acids |
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| Alternative Parents | |
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| Substituents | - Methyl-branched fatty acid
- Dicarboxylic 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 | 103.5 °C | 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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