| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:37:25 UTC |
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| Update Date | 2020-04-22 15:05:35 UTC |
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| BMDB ID | BMDB0000843 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Acetylgalactosamine 4,6-disulfate |
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| Description | N-Acetylgalactosamine 4,6-disulfate, also known as nagabs, 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. Based on a literature review very few articles have been published on N-Acetylgalactosamine 4,6-disulfate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| N-Acetylgalactosamine 4,6-disulfuric acid | Generator | | N-Acetylgalactosamine 4,6-disulphate | Generator | | N-Acetylgalactosamine 4,6-disulphuric acid | Generator | | 2-(Acetylamino)-2-deoxy-D-galactose 4,6-bis | HMDB | | 2-Acetamido-2-deoxy-D-galactose 4,6-bissulfate | HMDB | | 2-Acetamido-2-deoxy-D-galactose 4,6-bissulphate | HMDB | | N-Acetyl-chondrosamine 4,6-disulfate | HMDB | | N-Acetyl-chondrosamine 4,6-disulphate | HMDB | | N-Acetylgalactosamine 4,6-bisulfate | HMDB | | N-Acetylgalactosamine 4,6-bisulphate | HMDB | | Nagabs | HMDB | | N-[(3R,4R,5R,6R)-2,4-Dihydroxy-5-(sulfooxy)-6-[(sulfooxy)methyl]oxan-3-yl]ethanimidate | HMDB | | N-[(3R,4R,5R,6R)-2,4-Dihydroxy-5-(sulphooxy)-6-[(sulphooxy)methyl]oxan-3-yl]ethanimidate | HMDB | | N-[(3R,4R,5R,6R)-2,4-Dihydroxy-5-(sulphooxy)-6-[(sulphooxy)methyl]oxan-3-yl]ethanimidic acid | HMDB |
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| Chemical Formula | C8H15NO12S2 |
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| Average Molecular Weight | 381.334 |
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| Monoisotopic Molecular Weight | 381.003566329 |
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| IUPAC Name | [(2R,3R,4R,5R)-5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl]oxidanesulfonic acid |
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| Traditional Name | [(2R,3R,4R,5R)-5-acetamido-4,6-dihydroxy-2-[(sulfooxy)methyl]oxan-3-yl]oxidanesulfonic acid |
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| CAS Registry Number | 52510-51-7 |
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| SMILES | CC(=O)N[C@H]1C(O)O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8?/m1/s1 |
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| InChI Key | KWDXXNWKTRGMDM-IYWGXSQHSA-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
- Hexose monosaccharide
- Monosaccharide sulfate
- Monosaccharide
- Oxane
- Sulfuric acid ester
- Alkyl sulfate
- Sulfate-ester
- Sulfuric acid monoester
- Organic sulfuric acid or derivatives
- Acetamide
- Carboxamide group
- Hemiacetal
- Secondary alcohol
- Secondary carboxylic acid amide
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Alcohol
- Organic nitrogen compound
- Organonitrogen 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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