| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-01 08:04:03 UTC |
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| Update Date | 2016-08-01 19:18:31 UTC |
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| Lmdb | LMDB00888 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | L-Altrose |
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| Description | (3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity (3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C6H12O6 |
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| Average Molecular Weight | 180.156 |
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| Monoisotopic Molecular Weight | 180.063388106 |
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| IUPAC Name | (3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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| Traditional Name | (3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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| CAS Registry Number | Not Available |
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| SMILES | [H]C1(O)O[C@@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
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| InChI Identifier | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6?/m0/s1 |
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| InChI Key | WQZGKKKJIJFFOK-VSOAQEOCSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. |
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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 | Hexoses |
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| Alternative Parents | |
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| Substituents | - Hexose monosaccharide
- Oxane
- Secondary alcohol
- Hemiacetal
- 1,2-diol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | Not Available |
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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 | 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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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01q9-0900000000-865ff3c21e042be41194 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ea-1900000000-ff4a32f071e4786201c6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0007-9200000000-417340d4949b8c0d2e3d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-9596d144f8fb2fdb5331 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01t9-4900000000-f0f8f46dba221853007d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-d0de6cdc5e0fb72d5f69 | Spectrum |
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