Showing metabocard for Tiglic acid (MMDBc0060409)
| Record Information | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2023-02-14 16:59:49 UTC | ||||||||||||
| Update Date | 2023-02-14 16:59:49 UTC | ||||||||||||
| Metabolite ID | MMDBc0060409 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | Tiglic acid | ||||||||||||
| Description | (E)-2-methylbut-2-enoate 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 (E)-2-methylbut-2-enoate. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
| ||||||||||||
| Molecular Formula | C5H7O2 | ||||||||||||
| Average Mass | 99.11 | ||||||||||||
| Monoisotopic Mass | 99.045153045 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | Not Available | ||||||||||||
| InChI Key | UIERETOOQGIECD-ONEGZZNKSA-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 | ||||||||||||
| Alternative Parents | |||||||||||||
| Substituents |
| ||||||||||||
| Molecular Framework | Aliphatic acyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Not Available | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
| Spectra | |||||||||||||
| Not Available | |||||||||||||
| Biological Properties | |||||||||||||
| Cellular Locations | Not Available | ||||||||||||
| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
| Associated OMIM IDs | |||||||||||||
| Human Proteins and Enzymes | |||||||||||||
| |||||||||||||
| Human Pathways | |||||||||||||
| Pathways |
| ||||||||||||
| Metabolic Reactions | |||||||||||||
Reactions
| |||||||||||||
| Health Effects and Bioactivity | |||||||||||||
| |||||||||||||
| Microbial Sources | |||||||||||||
| |||||||||||||
| Exposure Sources | |||||||||||||
| |||||||||||||
| Host Biospecimen and Location | |||||||||||||
| |||||||||||||
| 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 | 5342012 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Tiglic acid | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 6971144 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| References | |||||||||||||
| Synthesis Reference | Not Available | ||||||||||||
| General References | |||||||||||||
