Showing metabocard for Benzaldehyde-cyanohydrin (MMDBc0033597)
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| Version | 1.0 | ||||||||||||||||
| Status | Detected and Quantified | ||||||||||||||||
| Creation Date | 2021-11-19 04:55:09 UTC | ||||||||||||||||
| Update Date | 2024-10-17 06:15:19 UTC | ||||||||||||||||
| Metabolite ID | MMDBc0033597 | ||||||||||||||||
| Metabolite Identification | |||||||||||||||||
| Common Name | Benzaldehyde-cyanohydrin | ||||||||||||||||
| Description | (±)-2-Hydroxy-2-phenylacetonitrile, also known as mandelonitrile, alpha-hydroxybenzeneacetonitrile or benzal dehyde cyanohydrin, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Mandelonitrile is a chemical compound of the cyanohydrin class. Hydroxy-2-phenylacetonitrile is a potentially toxic compound. The primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. (±)-2-Hydroxy-2-phenylacetonitrile has been detected, but not quantified, in fruits. This could make (±)-2-hydroxy-2-phenylacetonitrile a potential biomarker for the consumption of these foods. (±)-2- Oxygen therapy can also be administered. | ||||||||||||||||
| Structure |  | ||||||||||||||||
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| Molecular Formula | C8H7NO | ||||||||||||||||
| Average Mass | 133.1473 | ||||||||||||||||
| Monoisotopic Mass | 133.052763851 | ||||||||||||||||
| IUPAC Name | Not Available | ||||||||||||||||
| Traditional Name | Not Available | ||||||||||||||||
| CAS Registry Number | 532-28-5 | ||||||||||||||||
| SMILES | Not Available | ||||||||||||||||
| InChI Identifier | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H | ||||||||||||||||
| InChI Key | NNICRUQPODTGRU-UHFFFAOYSA-N | ||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||
| Functional Ontology | |||||||||||||||||
| Not Available | |||||||||||||||||
| Physical Properties | |||||||||||||||||
| State | Liquid | ||||||||||||||||
| Predicted Properties | Not Available | ||||||||||||||||
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| Biospecimen Locations | Not Available | ||||||||||||||||
| Tissue Locations | Not Available | ||||||||||||||||
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| HMDB ID | Not Available | ||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||
| FooDB ID | Not Available | ||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||
| BioCyc ID | MANDELONITRILE | ||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||
| Wikipedia Link | Mandelonitrile | ||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||
| PubChem Compound | Not Available | ||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||
| ChEBI ID | 16910 | ||||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||||
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| Synthesis Reference | Not Available | ||||||||||||||||
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