Showing metabocard for delta-Octalactone (MMDBc0033621)
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| Version | 1.0 | ||||||||||||
| Status | Detected and Quantified | ||||||||||||
| Creation Date | 2021-11-19 04:56:15 UTC | ||||||||||||
| Update Date | 2024-09-29 10:30:59 UTC | ||||||||||||
| Metabolite ID | MMDBc0033621 | ||||||||||||
| Metabolite Identification | |||||||||||||
| Common Name | delta-Octalactone | ||||||||||||
| Description | xi-Tetrahydro-6-propyl-2H-pyran-2-one belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. xi-Tetrahydro-6-propyl-2H-pyran-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, XI-tetrahydro-6-propyl-2H-pyran-2-one is considered to be a fatty ester lipid molecule. xi-Tetrahydro-6-propyl-2H-pyran-2-one has been detected, but not quantified, in fats and oils and fruits. This could make XI-tetrahydro-6-propyl-2H-pyran-2-one a potential biomarker for the consumption of these foods. | ||||||||||||
| Structure |  | ||||||||||||
| Synonyms |
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| Molecular Formula | C8H14O2 | ||||||||||||
| Average Mass | 142.1956 | ||||||||||||
| Monoisotopic Mass | 142.099379692 | ||||||||||||
| IUPAC Name | Not Available | ||||||||||||
| Traditional Name | Not Available | ||||||||||||
| CAS Registry Number | 698-76-0 | ||||||||||||
| SMILES | Not Available | ||||||||||||
| InChI Identifier | InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3 | ||||||||||||
| InChI Key | FYTRVXSHONWYNE-UHFFFAOYSA-N | ||||||||||||
| Chemical Taxonomy | |||||||||||||
| Description | Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. | ||||||||||||
| Kingdom | Organic compounds | ||||||||||||
| Super Class | Organoheterocyclic compounds | ||||||||||||
| Class | Lactones | ||||||||||||
| Sub Class | Delta valerolactones | ||||||||||||
| Direct Parent | Delta valerolactones | ||||||||||||
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | ||||||||||||
| External Descriptors |
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| Functional Ontology | |||||||||||||
| Not Available | |||||||||||||
| Physical Properties | |||||||||||||
| State | Expected Solid | ||||||||||||
| Predicted Properties | Not Available | ||||||||||||
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| Biospecimen Locations | Not Available | ||||||||||||
| Tissue Locations | Not Available | ||||||||||||
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| Metabolic Reactions | |||||||||||||
Not Available | |||||||||||||
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| HMDB ID | HMDB0038310 | ||||||||||||
| DrugBank ID | Not Available | ||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||
| FooDB ID | FDB017642 | ||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||
| Chemspider ID | 12252 | ||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||
| BioCyc ID | Not Available | ||||||||||||
| BiGG ID | Not Available | ||||||||||||
| Wikipedia Link | Not Available | ||||||||||||
| METLIN ID | Not Available | ||||||||||||
| PubChem Compound | 12777 | ||||||||||||
| PDB ID | Not Available | ||||||||||||
| ChEBI ID | Not Available | ||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||
| References | |||||||||||||
| Synthesis Reference | Not Available | ||||||||||||
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