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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB004197 |
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Identification |
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| Name: |
Alkanesulfonate |
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| Description: | This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. |
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Structure |
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| Synonyms: | - Alkanesulfonic acid
- Alkanesulphonate
- Alkanesulphonic acid
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Chemical Formula: |
C18H24O3 |
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| Average Molecular Weight: |
288.3814 |
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| Monoisotopic Molecular
Weight: |
288.172544634 |
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| InChI Key: |
GKCNNWJPOJGTLV-UKTHLTGXSA-N |
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| InChI: | InChI=1S/C18H24O3/c1-12(2)7-6-8-13(3)9-10-15-14(4)16(19)11-17(21-5)18(15)20/h7,9,11H,6,8,10H2,1-5H3/b13-9+ |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione |
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Traditional IUPAC Name: |
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione |
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| SMILES: | COC1=CC(=O)C(C)=C(C\C=C(/C)CCC=C(C)C)C1=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. |
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Kingdom |
Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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Class |
Prenol lipids |
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| Sub Class | Quinone and hydroquinone lipids |
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Direct Parent |
Prenylquinones |
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| Alternative Parents |
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| Substituents |
- Prenylbenzoquinone
- Monoterpenoid
- Monocyclic monoterpenoid
- Quinone
- P-benzoquinone
- Vinylogous ester
- Cyclic ketone
- Ketone
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
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| Molecular Framework |
Aliphatic homomonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Membrane |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | HMDB60353 | | Pubchem Compound ID | 10902296 | | Kegg ID | C15521 | | ChemSpider ID | 9077556 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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