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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 | PAMDB110029 |
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Identification |
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| Name: |
S-ureidoglycolate |
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| Description: | Conjugate base of (−)-ureidoglycolic acid. |
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Structure |
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| Synonyms: | -
(-)-ureidoglycolate
-
ureidoglycolate
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S-(-)-ureidoglycolate
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Chemical Formula: |
C3H5N2O4
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| Average Molecular Weight: |
133.08 |
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| Monoisotopic Molecular
Weight: |
134.0327566914 |
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| InChI Key: |
NWZYYCVIOKVTII-SFOWXEAESA-M |
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| InChI: |
InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/p-1/t1-/m0/s1 |
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| CAS
number: |
7424-03-5 |
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| IUPAC Name: | (2S)-(carbamoylamino)(hydroxy)acetate |
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Traditional IUPAC Name: |
ureidoglycolate |
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| SMILES: | C(O)(C([O-])=O)NC(N)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. |
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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 |
N-carbamoyl-alpha amino acids |
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| Alternative Parents |
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| Substituents |
- N-carbamoyl-alpha-amino acid
- Ureide
- Alpha-hydroxy acid
- Hydroxy acid
- Urea
- Alkanolamine
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- 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: |
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: |
- allantoin degradation IV (anaerobic)PWY0-41
- allantoin degradation to ureidoglycolate I (urea producing)PWY-5697
- superpathway of allantoin degradation in plantsURDEGR-PWY
- allantoin degradation to glyoxylate IPWY-5694
- allantoin degradation to ureidoglycolate II (ammonia producing)PWY-5698
- allantoin degradation to glyoxylate IIIPWY-5705
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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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