| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:25:04 UTC |
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| Update Date | 2020-04-22 15:18:18 UTC |
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| BMDB ID | BMDB0006707 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Coenzyme Q9 |
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| Description | Coenzyme Q9, also known as ubiquinone-45 or COQ9, 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, coenzyme Q9 is considered to be a quinone. Based on a literature review a significant number of articles have been published on Coenzyme Q9. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (all-e)-2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-2,5-cyclohexadiene-1,4-dione | ChEBI | | 2,3-Dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]-1,4-benzoquinone | ChEBI | | CoQ9 | ChEBI | | Ubiquinone-45 | ChEBI | | Coenzyme Q(9) | Kegg | | 2-Methyl-3-nonaprenyl-5,6-dimethoxy-1,4-benzoquinone | HMDB | | Coenzyme Q(sub 9) | HMDB | | CoQ(sub 9) | HMDB | | Ubiquinone 45 | HMDB | | Ubiquinone 9 | HMDB | | Ubiquinone Q(sub 9) | HMDB | | Ubiquinone Q9 | HMDB | | Ubiquinone-9 | HMDB | | Ubiquinone 9, (Z,Z,Z,Z,Z,e,e,e)-isomer | HMDB | | Ubiquinone Q-9 | HMDB | | Coenzyme Q9 | ChEBI |
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| Chemical Formula | C54H82O4 |
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| Average Molecular Weight | 795.2265 |
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| Monoisotopic Molecular Weight | 794.621311112 |
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| IUPAC Name | 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione |
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| Traditional Name | ubiquinone 9 |
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| CAS Registry Number | 303-97-9 |
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| SMILES | COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\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/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+ |
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| InChI Key | UUGXJSBPSRROMU-WJNLUYJISA-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 | - Polyterpenoid
- Polyprenylbenzoquinone
- 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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