Showing metabocard for 46-dimethylcurvulinic acid (MMDBc0024087)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 13:56:43 UTC | ||||||||||||
| Update Date | 2022-08-12 20:02:27 UTC | ||||||||||||
| Metabolite ID | MMDBc0024087 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 46-dimethylcurvulinic acid | ||||||||||||
| Description | 46-dimethylcurvulinic acid belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Based on a literature review very few articles have been published on 46-dimethylcurvulinic acid. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C12H14O5 | ||||||||||||
| Average Mass | 238.239 | ||||||||||||
| Monoisotopic Mass | 238.084123551 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C12H14O5/c1-5-8(4-9(14)15)10(7(3)13)12(17)6(2)11(5)16/h16-17H,4H2,1-3H3,(H,14,15) | ||||||||||||
| InChI Key | OWTQYBKDLMPBEH-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic oxygen compounds | ||||||||||||
| Class | Organooxygen compounds | ||||||||||||
| Sub Class | Carbonyl compounds | ||||||||||||
| Direct Parent | Alkyl-phenylketones | ||||||||||||
| Alternative Parents | |||||||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
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| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Pathways |
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| Microbial Pathways | |||||||||||||
| Pathways | Not Available | ||||||||||||
| Metabolic Reactions | |||||||||||||
Reactions This table shows at most 20 reactions. For the full list of associated reactions: See All Associated Reactions
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| External Links | |||||||||||||
| HMDB ID | Not Available | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | Not Available | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 23550444 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 44715172 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 181005 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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