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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB001916 |
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Identification |
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| Name: |
Demethylmenaquinone-7 |
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| Description: | Demethylmenaquinone-7 is a member of the chemical class known as Sesquaterpenes. Menaquinones and demethaquinones are isoprenoid quinones of the naphthalene series, and are constituents of bacterial plasma membranes, where they play important roles in electron transfer and oxidative phosphorylation. Menaquinones and demethaquinones are named MK-n or DMK-n, respectively, where the n refers to the number of prenyl units present in the side chain Demethylmenaquinone-7 is involved in cofactor (menaquinone and ubiquinone) biosynthesis. Demethylquinones are converted to menaquinones via the enzyme ubiE. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C45H62O2 |
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| Average Molecular Weight: |
634.9726 |
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| Monoisotopic Molecular
Weight: |
634.474981228 |
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| InChI Key: |
GJIGVPBRJFOUGD-SSQLMYNASA-N |
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| InChI: | InChI=1S/C45H62O2/c1-34(2)17-11-18-35(3)19-12-20-36(4)21-13-22-37(5)23-14-24-38(6)25-15-26-39(7)27-16-28-40(8)31-32-41-33-44(46)42-29-9-10-30-43(42)45(41)47/h9-10,17,19,21,23,25,27,29-31,33H,11-16,18,20,22,24,26,28,32H2,1-8H3/b35-19+,36-21+,37-23+,38-25+,39-27+,40-31+ |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-1,4-dihydronaphthalene-1,4-dione |
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Traditional IUPAC Name: |
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]naphthalene-1,4-dione |
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| SMILES: | [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=CC(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. |
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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 | Sesquaterpenoids |
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Direct Parent |
Sesquaterpenoids |
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| Alternative Parents |
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| Substituents |
- Sesquaterpenoid
- Menaquinone
- Naphthoquinone
- Naphthalene
- Aryl ketone
- Quinone
- Benzenoid
- Ketone
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homopolycyclic compound
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| Molecular Framework |
Aromatic homopolycyclic 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: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Winder, C. L., Dunn, W. B., Schuler, S., Broadhurst, D., Jarvis, R., Stephens, G. M., Goodacre, R. (2008). "Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites." Anal Chem 80:2939-2948. Pubmed: 18331064
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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 | Not Available | | Pubchem Compound ID | 25244494 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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