Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 23:05:18 UTC |
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Update Date | 2020-05-21 16:28:28 UTC |
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BMDB ID | BMDB0003556 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Chitobiose |
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Description | Chitobiose, also known as CBS or chitobiose, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Chitobiose is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chitobiose can be converted into N-acetyl-D-glucosamine; which is mediated by the enzyme Beta-hexosaminidase subunit alpha. In cattle, chitobiose is involved in the metabolic pathway called the amino sugar metabolism pathway. Chitobiose is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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CBS | HMDB | Chitodextrin | HMDB | Diacetylchitobiose | HMDB |
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Chemical Formula | C15H26N2O12 |
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Average Molecular Weight | 426.3731 |
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Monoisotopic Molecular Weight | 426.148574306 |
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IUPAC Name | [(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid |
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Traditional Name | (2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-ylcarbamic acid |
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CAS Registry Number | 577-76-4 |
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SMILES | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(O)=O)[C@@H]1O |
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InChI Identifier | InChI=1S/C15H26N2O12/c1-4(20)16-7-11(23)12(6(3-19)27-13(7)24)29-14-8(17-15(25)26)10(22)9(21)5(2-18)28-14/h5-14,17-19,21-24H,2-3H2,1H3,(H,16,20)(H,25,26)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+/m1/s1 |
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InChI Key | HSRZMOSQMYFZBL-CGKOVJDHSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl 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 | Acylaminosugars |
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Alternative Parents | |
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Substituents | - Acylaminosugar
- N-acyl-alpha-hexosamine
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Oxane
- Acetamide
- Carbamic acid
- Carbamic acid derivative
- Carboxamide group
- Hemiacetal
- Carbonic acid derivative
- Secondary alcohol
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Oxacycle
- Acetal
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Alcohol
- Organonitrogen compound
- Primary alcohol
- Organic nitrogen compound
- Carbonyl group
- 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 | 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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