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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 | PAMDB120456 |
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Identification |
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| Name: |
2-keto-6-aminocaproate |
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| Description: | Zwitterionic form of 6-amino-2-oxohexanoic acid arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 6-amino-2-oxohexanoate
- 6-ammonio-2-oxohexanoate
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Chemical Formula: |
C6H11NO3 |
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| Average Molecular Weight: |
145.158 |
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| Monoisotopic Molecular
Weight: |
146.08171 |
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| InChI Key: |
GWENQMVPLJAMAE-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 6-azaniumyl-2-oxohexanoate |
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Traditional IUPAC Name: |
6-amino-2-oxohexanoic acid |
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| SMILES: | C(CC(=O)C(=O)[O-])CC[N+] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities 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 |
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 | 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
- Amino fatty acid
- Alpha-keto acid
- Fatty acyl
- Alpha-hydroxy ketone
- Amino acid
- Amino acid or derivatives
- Ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Organopnictogen compound
- Carbonyl group
- Organic nitrogen compound
- Organic oxide
- Amine
- Primary amine
- Hydrocarbon derivative
- 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: | 0 |
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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: |
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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