Showing metabocard for p-toluic-acid_L-valine (MMDBc0061574)
Microbial
Human
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2025-10-03 09:58:53 UTC | ||||||||||||
| Update Date | 2025-10-03 09:58:53 UTC | ||||||||||||
| Metabolite ID | MMDBc0061574 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | p-toluic-acid_L-valine | ||||||||||||
| Description | (2S)-3-methyl-2-[(4-methylphenyl)formamido]butanoic acid belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Based on a literature review very few articles have been published on (2S)-3-methyl-2-[(4-methylphenyl)formamido]butanoic acid. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C13H17NO3 | ||||||||||||
| Average Mass | 235.283 | ||||||||||||
| Monoisotopic Mass | 235.120843411 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | Not Available | ||||||||||||
| InChI Key | VHARFVDRHZIASX-NSHDSACASA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Benzenoids | ||||||||||||
| Class | Benzene and substituted derivatives | ||||||||||||
| Sub Class | Benzoic acids and derivatives | ||||||||||||
| Direct Parent | Hippuric acids | ||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Not Available | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| 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 | This table shows at most 5 pathways. For the full list of associated pathways: See All Associated Bacterial Pathways
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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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| 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 | 892387 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| References | |||||||||||||
| Synthesis Reference | Not Available | ||||||||||||
| General References |
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