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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB000955 |
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Identification |
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| Name: |
5-Phenyl-1,3-oxazinane-2,4-dione |
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| Description: | 5-phenyl-1,3-oxazinane-2,4-dione belongs to the class of Aromatic Homomonocyclic Compounds. These are aromatic compounds containig only one ring, which is homocyclic. (inferred from compound structure) |
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Structure |
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| Synonyms: | - 3,3'-dihydroxy-β,β-carotene-4,4'-dione
- 3,3'-dihydroxy-4,4'-diketo-β,β-carotene
- 5-phenyl-1,3-oxazinane-2,4-dione
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Chemical Formula: |
C10H9NO3 |
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| Average Molecular Weight: |
191.1834 |
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| Monoisotopic Molecular
Weight: |
191.058243159 |
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| InChI Key: |
YPIQXPKZXKWWSZ-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C10H9NO3/c12-9-8(6-14-10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 4-hydroxy-5-phenyl-5,6-dihydro-2H-1,3-oxazin-2-one |
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Traditional IUPAC Name: |
4-hydroxy-5-phenyl-5,6-dihydro-1,3-oxazin-2-one |
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| SMILES: | OC1=NC(=O)OCC1C1=CC=CC=C1 |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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. |
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Kingdom |
Organic compounds |
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| Super Class | Benzenoids |
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Class |
Benzene and substituted derivatives |
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| Sub Class | Not Available |
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Direct Parent |
Benzene and substituted derivatives |
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| Alternative Parents |
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| Substituents |
- Monocyclic benzene moiety
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework |
Aromatic heteromonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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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: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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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: |
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