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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 | PAMDB110006 |
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Identification |
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| Name: |
2-oxohept-3-enedioate |
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| Description: | Not Available |
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Structure |
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| Synonyms: | -
OHED
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2-oxo-hept-3-ene-1,7-dioate
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Chemical Formula: |
C7H6O5
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| Average Molecular Weight: |
170.12 |
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| Monoisotopic Molecular
Weight: |
172.0371733673 |
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| InChI Key: |
HYVSZVZMTYIHKF-HNQUOIGGSA-L |
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| InChI: |
InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/p-2/b3-1+ |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-oxohept-3-enedioate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(CCC=CC(C([O-])=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 medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Keto acids and derivatives |
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| Sub Class | Medium-chain keto acids and derivatives |
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Direct Parent |
Medium-chain keto acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Medium-chain keto acid
- Alpha-keto acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Unsaturated fatty acid
- Acryloyl-group
- Enone
- Alpha,beta-unsaturated ketone
- Ketone
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- heptenedioate (CHEBI:17205)
- a tautomer (CPD-786)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -2 |
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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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