| Identification |
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| YMDB ID | YMDB01344 |
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| Name | 2,3,4-Trimethyl-pentane |
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| Species | Saccharomyces cerevisiae |
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| Strain | Brewer's yeast |
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| Description | 2,3,4-Trimethyl-pentane belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Thus, 2,3,4-trimethyl-pentane is considered to be a hydrocarbon lipid molecule. 2,3,4-Trimethyl-pentane is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2,3,4-Trimethyl-pentane may be a unique S. cerevisiae (yeast) metabolite. 2,3,4-Trimethyl-pentane is a potentially toxic compound. |
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| Structure | |
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| Synonyms | - 2,3,4-Trimethylpentane
- Pentane, 2,3,4-trimethyl-
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| CAS number | 565-75-3 |
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| Weight | Average: 114.2285
Monoisotopic: 114.140850576 |
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| InChI Key | RLPGDEORIPLBNF-UHFFFAOYSA-N |
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| InChI | InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3 |
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| IUPAC Name | 2,3,4-trimethylpentane |
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| Traditional IUPAC Name | 2,3,4-trimethylpentane |
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| Chemical Formula | C8H18 |
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| SMILES | [H]C([H])([H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. |
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| Kingdom | Organic compounds |
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| Super Class | Hydrocarbons |
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| Class | Saturated hydrocarbons |
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| Sub Class | Alkanes |
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| Direct Parent | Branched alkanes |
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| Alternative Parents | Not Available |
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| Substituents | - Branched alkane
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Liquid |
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| Charge | 0 |
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| Melting point | -109.2 °C |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | 0.0023 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | Not Available |
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| KEGG Pathways | Not Available |
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| SMPDB Reactions | Not Available |
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| KEGG Reactions | Not Available |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | |
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| References |
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| References: | - Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). "A new process for wine production by penetration of yeast in uncrushed frozen grapes." Appl Biochem Biotechnol 162:1109-1121.20151225
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 11269 | | Kegg ID | Not Available | | ChemSpider ID | 10795 | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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