Showing metabocard for 2-chloroemodic acid (MMDBc0017476)
Microbial
| Record Information | |||||||||||||
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 07:51:09 UTC | ||||||||||||
| Update Date | 2022-08-12 20:00:29 UTC | ||||||||||||
| Metabolite ID | MMDBc0017476 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | 2-chloroemodic acid | ||||||||||||
| Description | CHEMBL1089732 belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Based on a literature review very few articles have been published on CHEMBL1089732. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C15H7ClO7 | ||||||||||||
| Average Mass | 334.66 | ||||||||||||
| Monoisotopic Mass | 333.9880303 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23) | ||||||||||||
| InChI Key | JGHTWRZCNLXYPF-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Benzenoids | ||||||||||||
| Class | Anthracenes | ||||||||||||
| Sub Class | Anthracenecarboxylic acids and derivatives | ||||||||||||
| Direct Parent | Anthracenecarboxylic acids | ||||||||||||
| Alternative Parents | |||||||||||||
| Substituents |
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| Molecular Framework | Aromatic homopolycyclic 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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| 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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| 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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| 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 | 22369700 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 38350655 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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