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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 | PAMDB120069 |
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Identification |
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| Name: |
2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline |
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| Description: | Conjugate base of 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid. |
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Structure |
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| Synonyms: | - 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate
- OHCU
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Chemical Formula: |
C5H5N4O5 |
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| Average Molecular Weight: |
201.118 |
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| Monoisotopic Molecular
Weight: |
202.03381 |
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| InChI Key: |
WHKYNCPIXMNTRQ-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylate |
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Traditional IUPAC Name: |
5-(carbamoylamino)-4-hydroxy-2-oxo-3H-imidazole-4-carboxylic acid |
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| SMILES: | C(C1(O)(NC(=O)N=C1NC(N)=O))(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Carboxylic acids and derivatives |
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Direct Parent |
Alpha amino acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Alpha-amino acid or derivatives
- Alpha-hydroxy acid
- Hydroxy acid
- 3-imidazoline
- Carbonic acid derivative
- Urea
- Alkanolamine
- Amidine
- Carboxylic acid amidine
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Carboximidamide
- Propargyl-type 1,3-dipolar organic compound
- Organic 1,3-dipolar compound
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -1 |
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Melting point: |
Not Available |
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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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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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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: |
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