Showing metabocard for Caperatic acid (MMDBc0013991)
Microbial
Human
Co-metabolite
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 05:09:11 UTC | ||||||||||||
| Update Date | 2022-08-12 19:59:41 UTC | ||||||||||||
| Metabolite ID | MMDBc0013991 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Caperatic acid | ||||||||||||
| Description | 2-hydroxy-2-(2-methoxy-2-oxoethyl)-3-tetradecylbutanedioic acid belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. 2-hydroxy-2-(2-methoxy-2-oxoethyl)-3-tetradecylbutanedioic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C21H38O7 | ||||||||||||
| Average Mass | 402.528 | ||||||||||||
| Monoisotopic Mass | 402.261753564 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C21H38O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(23)24)21(27,20(25)26)16-18(22)28-2/h17,27H,3-16H2,1-2H3,(H,23,24)(H,25,26) | ||||||||||||
| InChI Key | HMJJWFFZRCLIDN-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic acids and derivatives | ||||||||||||
| Class | Carboxylic acids and derivatives | ||||||||||||
| Sub Class | Tricarboxylic acids and derivatives | ||||||||||||
| Direct Parent | Tricarboxylic acids and derivatives | ||||||||||||
| Alternative Parents | |||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
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| Chromatographic Retention Times and Retention Indices | |||||||||||||
| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
| Associated OMIM IDs | |||||||||||||
| Human Proteins and Enzymes | |||||||||||||
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| Human Pathways | |||||||||||||
| 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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| Health Effects and Bioactivity | |||||||||||||
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| Microbial Sources | |||||||||||||
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| Other Exposures |
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| Host Biospecimen and Location | |||||||||||||
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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 | Not Available | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 193112 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | 144132 | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
| General References | |||||||||||||