| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:29:00 UTC |
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| Update Date | 2020-04-22 15:03:04 UTC |
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| BMDB ID | BMDB0000346 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3-Deoxyarabinohexonic acid |
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| Description | 3-Deoxyarabinohexonic acid, also known as arabino-3-deoxyhexonate or D-2-keto-3-deoxygluconate, belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review a significant number of articles have been published on 3-Deoxyarabinohexonic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2S,4S,5R)-2,4,5,6-Tetrahydroxyhexanoic acid | ChEBI | | 3-Deoxy-arabino-hexonic acid | ChEBI | | 3-Deoxyarabino-hexonic acid | ChEBI | | (2S,4S,5R)-2,4,5,6-Tetrahydroxyhexanoate | Generator | | 3-Deoxy-arabino-hexonate | Generator | | 3-Deoxyarabino-hexonate | Generator | | 3-Deoxyarabinohexonate | Generator | | 3-Deoxy-D-arabino-hexonic acid | HMDB | | Arabino-3-deoxyhexonate | HMDB | | Arabino-3-deoxyhexonic acid | HMDB | | D-2-Keto-3-deoxygluconate | HMDB | | 3-Deoxy-arabino-hexonic acid, monosodium salt, (D)-isomer | HMDB | | 3-Deoxy-arabino-hexonic acid, (D)-isomer | HMDB | | 3-Deoxy-D-arabino-hexonate | HMDB |
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| Chemical Formula | C6H12O6 |
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| Average Molecular Weight | 180.1559 |
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| Monoisotopic Molecular Weight | 180.063388116 |
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| IUPAC Name | (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid |
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| Traditional Name | 3-deoxy-arabinohexonic acid |
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| CAS Registry Number | 29625-79-4 |
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| SMILES | OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O |
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| InChI Identifier | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 |
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| InChI Key | YGMNHEPVTNXLLS-VAYJURFESA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy 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 | Hydroxy acids and derivatives |
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| Sub Class | Medium-chain hydroxy acids and derivatives |
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| Direct Parent | Medium-chain hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Medium-chain hydroxy acid
- Medium-chain fatty acid
- Hydroxy fatty acid
- Alpha-hydroxy acid
- Fatty acyl
- Fatty acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Primary alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 | |
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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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