| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:26:24 UTC |
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| Update Date | 2020-04-22 15:18:43 UTC |
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| BMDB ID | BMDB0006820 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone |
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| Description | 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone exists in all eukaryotes, ranging from yeast to humans. In cattle, 2-hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone is involved in the metabolic pathway called ubiquinone biosynthesis pathway. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C38H56O4 |
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| Average Molecular Weight | 576.8488 |
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| Monoisotopic Molecular Weight | 576.41786028 |
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| IUPAC Name | 4-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-3,5-diene-1,2-dione |
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| Traditional Name | 4-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-hydroxy-6-methoxy-3-methylcyclohexa-3,5-diene-1,2-dione |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=C(O)C(C\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)C(=O)C1=O |
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| InChI Identifier | InChI=1S/C38H56O4/c1-27(2)15-10-16-28(3)17-11-18-29(4)19-12-20-30(5)21-13-22-31(6)23-14-24-32(7)25-26-34-33(8)35(39)37(41)38(42-9)36(34)40/h15,17,19,21,23,25,40H,10-14,16,18,20,22,24,26H2,1-9H3/b28-17+,29-19+,30-21+,31-23+,32-25+ |
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| InChI Key | IALHZQNPELKEGE-HGJBZHBGSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five 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 | Sesterterpenoids |
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| Direct Parent | Sesterterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesterterpenoid
- Quinone
- O-benzoquinone
- Vinylogous acid
- 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 | Not Available |
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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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