| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:23:36 UTC |
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| Update Date | 2020-04-22 15:17:56 UTC |
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| BMDB ID | BMDB0006578 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Chitotriose |
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| Description | Chitotriose belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review a significant number of articles have been published on Chitotriose. |
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| Structure | |
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| Synonyms | | Value | Source |
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| O-2-amino-2-Deoxy-beta-D-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucose | HMDB | | O-2-amino-2-Deoxy-beta-delta-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-beta-delta-glucopyranosyl-(1->4)-2-amino-2-deoxy-delta-glucose | HMDB | | Chitotrisaccharide | MeSH, HMDB | | Chitintriose | MeSH, HMDB | | Chitotriose | MeSH |
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| Chemical Formula | C18H35N3O13 |
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| Average Molecular Weight | 501.4828 |
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| Monoisotopic Molecular Weight | 501.216988221 |
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| IUPAC Name | (2R,3R,4S,5R)-2-amino-4-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxyhexanal |
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| Traditional Name | chitotrisaccharide |
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| CAS Registry Number | 41708-93-4 |
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| SMILES | N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N)[C@H](O)CO |
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| InChI Identifier | InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1 |
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| InChI Key | HBAVVSYNWHLVDB-UDAFUQIYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. |
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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 | Aminoglycosides |
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| Alternative Parents | |
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| Substituents | - Aminoglycoside core
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Beta-hydroxy aldehyde
- Oxane
- 1,2-aminoalcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Acetal
- Polyol
- Alcohol
- Primary aliphatic amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Organonitrogen compound
- Primary amine
- Aldehyde
- Primary 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 | 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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