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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 | PAMDB110773 |
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Identification |
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| Name: |
2-iminosuccinate |
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| Description: | Dicarboxylate anion arising from deprotonation of both carboxylic acid groups of iminoaspartic acid. |
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Structure |
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| Synonyms: | -
2-iminobutanedioate
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α-iminosuccinate
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iminoaspartate
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Chemical Formula: |
C4H3NO4
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| Average Molecular Weight: |
129.07 |
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| Monoisotopic Molecular
Weight: |
131.0218576541 |
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| InChI Key: |
NMUOATVLLQEYHI-UHFFFAOYSA-L |
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| InChI: |
InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)/p-2 |
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| CAS
number: |
79067-61-1 |
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| IUPAC Name: | 2-iminobutanedioate |
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Traditional IUPAC Name: |
iminosuccinic acid |
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| SMILES: | C(=O)([O-])CC(=N)C(=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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
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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 |
Dicarboxylic acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Fatty acid
- Dicarboxylic acid or derivatives
- Ketimine
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Imine
- Carbonyl group
- 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: | -2 |
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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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