| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:19:25 UTC |
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| Update Date | 2020-04-22 15:16:36 UTC |
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| BMDB ID | BMDB0005971 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Diketogulonic acid |
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| Description | Diketogulonic acid, also known as 2,3-diketo-L-gulonate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Diketogulonic acid exists in all living organisms, ranging from bacteria to humans. Based on a literature review a small amount of articles have been published on Diketogulonic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (4R,5S)-2,3-Dioxo-4,5,6-trihydroxyhexanoic acid | ChEBI | | (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate | ChEBI | | (4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoic acid | ChEBI | | 2,3-Diketo-L-gulonate | ChEBI | | 2,3-Diketo-L-gulonic acid | ChEBI | | 2,3-Dioxo-2,3-dideoxy-L-gulonic acid | ChEBI | | 2,3-L-Diketogulonic acid | ChEBI | | Diketo-L-gulonic acid | ChEBI | | L-Threo-(2,3)-hexodiulosonsaeure | ChEBI | | L-Threo-2,3-hexodiurosonic acid | ChEBI | | Threo-2,3-hexodiulosonic acid | ChEBI | | (4R,5S)-2,3-Dioxo-4,5,6-trihydroxyhexanoate | Generator | | 2,3-Dioxo-2,3-dideoxy-L-gulonate | Generator | | 2,3-L-Diketogulonate | Generator | | Diketo-L-gulonate | Generator | | L-Threo-2,3-hexodiurosonate | Generator | | Threo-2,3-hexodiulosonate | Generator | | Diketogulonate | Generator | | 2,3-Diketogulonic acid | HMDB | | 2,3-Dioxo-D-gulonate | HMDB | | L-Threo-2,3-hexodiulosonic acid | HMDB | | L-Threo-hexo-2,3-diulosonic acid | HMDB | | Acid, 2,3-diketogulonic | HMDB | | 2,3 Diketogulonic acid | HMDB | | Diketo-gulonate | HMDB | | 2,3-Diketogulonate | HMDB |
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| Chemical Formula | C6H8O7 |
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| Average Molecular Weight | 192.1235 |
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| Monoisotopic Molecular Weight | 192.02700261 |
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| IUPAC Name | (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid |
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| Traditional Name | diketogulonic acid |
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| CAS Registry Number | 3409-57-2 |
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| SMILES | OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O |
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| InChI Identifier | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1 |
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| InChI Key | GJQWCDSAOUMKSE-STHAYSLISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbohydrates and carbohydrate conjugates |
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| Direct Parent | Sugar acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Hexose monosaccharide
- Medium-chain keto acid
- Beta-keto acid
- Sugar acid
- Acyloin
- Alpha-keto acid
- Alpha-diketone
- Beta-hydroxy ketone
- Keto acid
- Monosaccharide
- Alpha-hydroxy ketone
- Ketone
- Secondary alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Carbonyl group
- Alcohol
- Organic oxide
- Primary alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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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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| Spectra |
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| Spectra | |
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