| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:25:06 UTC |
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| Update Date | 2020-04-22 15:18:19 UTC |
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| BMDB ID | BMDB0006710 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Ubiquinone Q4 |
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| Description | Ubiquinone-4 belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). Thus, ubiquinone-4 is considered to be a quinone. Based on a literature review very few articles have been published on Ubiquinone-4. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,3-Dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-2,5-cyclohexadiene-1,4-dione | HMDB | | 2,3-Dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-P-benzoquinone | HMDB | | 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2,5-cyclohexadiene-1,4-dione | HMDB | | Coenzyme Q4 | HMDB | | CoQ4 | HMDB | | Ubiquinone 4 | HMDB | | Ubiquinone Q4 | HMDB |
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| Chemical Formula | C29H42O4 |
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| Average Molecular Weight | 454.6414 |
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| Monoisotopic Molecular Weight | 454.308309832 |
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| IUPAC Name | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione |
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| Traditional Name | ubiquinone 4 |
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| CAS Registry Number | 4370-62-1 |
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| SMILES | COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O |
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| InChI Identifier | InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+ |
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| InChI Key | XGCJRRDNIMSYNC-INVBOZNNSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). |
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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 | Ubiquinones |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Ubiquinone skeleton
- Quinone
- P-benzoquinone
- Vinylogous ester
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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