Showing metabocard for 2,2‐Dimethylbutanoic acid (MMDBc0060111)
| Record Information | |||||||||||||||
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| Version | 1.0 | ||||||||||||||
| Status | Detected and Quantified | ||||||||||||||
| Creation Date | 2023-01-31 21:59:38 UTC | ||||||||||||||
| Update Date | 2023-01-31 21:59:38 UTC | ||||||||||||||
| Metabolite ID | MMDBc0060111 | ||||||||||||||
| Metabolite Identification | |||||||||||||||
| Common Name | 2,2‐Dimethylbutanoic acid | ||||||||||||||
| Description | 2,2-dimethylbutanoate 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 2,2-dimethylbutanoate. | ||||||||||||||
| Structure |  | ||||||||||||||
| Synonyms |
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| Molecular Formula | C6H11O2 | ||||||||||||||
| Average Mass | 115.153 | ||||||||||||||
| Monoisotopic Mass | 115.076453174 | ||||||||||||||
| IUPAC Name | Not Available | ||||||||||||||
| Traditional Name | Not Available | ||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||
| SMILES | Not Available | ||||||||||||||
| InChI Identifier | Not Available | ||||||||||||||
| InChI Key | VUAXHMVRKOTJKP-UHFFFAOYSA-M | ||||||||||||||
| Chemical Taxonomy | |||||||||||||||
| 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. | ||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||
| Class | Fatty Acyls | ||||||||||||||
| Sub Class | Fatty acids and conjugates | ||||||||||||||
| Direct Parent | Methyl-branched fatty acids | ||||||||||||||
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||||||||
| External Descriptors | Not Available | ||||||||||||||
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| State | Not Available | ||||||||||||||
| Predicted Properties | Not Available | ||||||||||||||
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| Cellular Locations | Not Available | ||||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||||
| Tissue Locations | Not Available | ||||||||||||||
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| HMDB ID | Not Available | ||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||
| FooDB ID | Not Available | ||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||
| Chemspider ID | 5324221 | ||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||
| BiGG ID | Not Available | ||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||
| METLIN ID | Not Available | ||||||||||||||
| PubChem Compound | 6951315 | ||||||||||||||
| PDB ID | Not Available | ||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||||
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