Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110750 |
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Identification |
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Name: |
5-carboxy-2-oxohept-3-enedioate |
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Description: | Tricarboxylate anion of (3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid. |
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Structure |
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Synonyms: | -
OPET
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5-carboxy-2-oxohex-3-ene-1,6-dioate
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5-oxopent-3-ene-1,2,5-tricarboxylate
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1-oxopent-3-ene-1,4,5-tricarboxylate
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Chemical Formula: |
C8H5O7
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Average Molecular Weight: |
213.12 |
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Monoisotopic Molecular
Weight: |
216.0270026115 |
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InChI Key: |
WHGVLEMQINVDLH-OWOJBTEDSA-K |
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InChI: |
InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+ |
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CAS
number: |
Not Available |
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IUPAC Name: | (3E)-5-oxopent-3-ene-1,2,5-tricarboxylate |
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Traditional IUPAC Name: |
Not Available |
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SMILES: | C(CC(C=CC(C([O-])=O)=O)C([O-])=O)([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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Kingdom |
Organic compounds |
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Super Class | Organic acids and derivatives |
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Class |
Carboxylic acids and derivatives |
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Sub Class | Tricarboxylic acids and derivatives |
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Direct Parent |
Tricarboxylic acids and derivatives |
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Alternative Parents |
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Substituents |
- Tricarboxylic acid or derivatives
- Keto acid
- Alpha-keto acid
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Ketone
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Organic anion
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
- a small molecule (CPD-785)
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Physical Properties |
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State: |
Not Available |
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Charge: | -3 |
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Melting point: |
Not Available |
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Experimental Properties: |
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: |
Not Available |
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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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