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 |  | ||||||||||||
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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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