Showing metabocard for (2-methyl-4,5-ditridecyl-1,4-cyclohexadienyl)methanol (MMDBc0007366)
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-05-15 00:34:39 UTC | ||||||||||||
| Update Date | 2022-08-31 06:27:01 UTC | ||||||||||||
| Metabolite ID | MMDBc0007366 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | (2-methyl-4,5-ditridecyl-1,4-cyclohexadienyl)methanol | ||||||||||||
| Description | SCHEMBL17867089 belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). SCHEMBL17867089 is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms | Not Available | ||||||||||||
| Molecular Formula | C34H64O | ||||||||||||
| Average Mass | 488.885 | ||||||||||||
| Monoisotopic Mass | 488.495716681 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | Not Available | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C34H64O/c1-4-6-8-10-12-14-16-18-20-22-24-26-32-28-31(3)34(30-35)29-33(32)27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-30H2,1-3H3 | ||||||||||||
| InChI Key | OTCMZAZJVCILSR-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organic oxygen compounds | ||||||||||||
| Class | Organooxygen compounds | ||||||||||||
| Sub Class | Alcohols and polyols | ||||||||||||
| Direct Parent | Primary alcohols | ||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic homomonocyclic compounds | ||||||||||||
| External Descriptors | Not Available | ||||||||||||
| Functional Ontology | |||||||||||||
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| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Retention Times | Not Available | ||||||||||||
| Retention Indices | Not Available | ||||||||||||
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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 | ||||||||||||
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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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| 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 | 15381134 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| CMMC Knowledgebase | Not Available | ||||||||||||
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