Record Information |
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Version | 2.0 |
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Creation Date | 2015-06-08 15:08:39 -0600 |
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Update Date | 2015-08-05 16:22:05 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | trans-2,3-Dehydroacyl-CoA |
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Description | An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 2,3-trans-enoic acid |
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Structure | |
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Synonyms: | - 2-Hydroxy-2-(4-hydroxyphenyl)acetonitrile
- 4-Hydroxybenzaldehyde cyanonhydrin
- a,4-Dihydroxybenzeneacetonitrile
- alpha,4-Dihydroxybenzeneacetonitrile
- P-Hydroxymandelonitrile
- Para-hydroxymandelonitrile
- α,4-dihydroxybenzeneacetonitrile
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Chemical Formula: | C8H7NO2 |
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Weight: | Average: 149.1467 Monoisotopic: 149.047678473 |
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InChI Key: | HOOOPXDSCKBLFG-UHFFFAOYSA-N |
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InChI: | InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H |
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CAS number: | Not Available |
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IUPAC Name: | 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile |
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Traditional IUPAC Name: | p-hydroxymandelonitrile |
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SMILES: | OC(C#N)C1=CC=C(O)C=C1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenols |
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Sub Class | 1-hydroxy-2-unsubstituted benzenoids |
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Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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Alternative Parents | |
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Substituents | - 1-hydroxy-2-unsubstituted benzenoid
- Monocyclic benzene moiety
- Cyanohydrin
- Secondary alcohol
- Alpha-hydroxynitrile
- Carbonitrile
- Nitrile
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Alcohol
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic alcohol
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | |
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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: | Cytoplasm |
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Reactions: | (3S)-3-Hydroxyacyl-CoA <> trans-2,3-Dehydroacyl-CoA + trans-3-Enoyl-CoA + Watertrans-2,3-Dehydroacyl-CoA + NADP <> trans,trans-2,3,4,5-Tetradehydroacyl-CoA + NADPH + Hydrogen iontrans-2,3-Dehydroacyl-CoA + NADP <> trans,trans-2,3,4,5-Tetradehydroacyl-CoA + NADPH + Hydrogen ion |
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SMPDB Pathways: | |
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KEGG Pathways: | - 1,4-Dichlorobenzene degradation ec00627
- Benzoate degradation via CoA ligation ec00632
- Benzoate degradation via hydroxylation ec00362
- Biosynthesis of unsaturated fatty acids ec01040
- Butanoate metabolism ec00650
- Caprolactam degradation ec00930
- Fatty acid elongation in mitochondria ec00062
- Fatty acid metabolism ec00071
- Geraniol degradation ec00281
- Limonene and pinene degradation ec00903
- Lysine degradation ec00310
- Metabolic pathways eco01100
- Microbial metabolism in diverse environments ec01120
- Phenylalanine metabolism ec00360
- Propanoate metabolism ec00640
- Reductive carboxylate cycle (CO2 fixation) ec00720
- Tryptophan metabolism ec00380
- Valine, leucine and isoleucine degradation ec00280
- alpha-Linolenic acid metabolism ec00592
- beta-Alanine metabolism ec00410
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | Not Available |
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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 | 18115 | HMDB ID | HMDB0178041 | Pubchem Compound ID | 166768 | Kegg ID | C00658 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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