| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:37:23 UTC |
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| Update Date | 2020-04-22 15:05:34 UTC |
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| BMDB ID | BMDB0000841 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | N-Acetylgalactosamine 6-sulfate |
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| Description | N-Acetylgalactosamine 6-sulfate, also known as nag-6-S, belongs to the class of organic compounds known as monosaccharide sulfates. These are monosaccharides that contain a sulfate group linked to the sugar moiety. Based on a literature review a significant number of articles have been published on N-Acetylgalactosamine 6-sulfate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| N-Acetylgalactosamine 6-sulfuric acid | Generator | | N-Acetylgalactosamine 6-sulphate | Generator | | N-Acetylgalactosamine 6-sulphuric acid | Generator | | N-Acetyl-chondrosamine 6-(hydrogen sulfate) | HMDB | | N-Acetyl-chondrosamine 6-(hydrogen sulphate) | HMDB | | Nag-6-S | HMDB | | N-[(2R,3R,4R,5R)-3,4,5-Trihydroxy-1-oxo-6-(sulfooxy)hexan-2-yl]ethanimidate | HMDB | | N-[(2R,3R,4R,5R)-3,4,5-Trihydroxy-1-oxo-6-(sulphooxy)hexan-2-yl]ethanimidate | HMDB | | N-[(2R,3R,4R,5R)-3,4,5-Trihydroxy-1-oxo-6-(sulphooxy)hexan-2-yl]ethanimidic acid | HMDB | | N-Acetylgalactosamine 6-sulfate | MeSH |
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| Chemical Formula | C8H15NO9S |
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| Average Molecular Weight | 301.271 |
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| Monoisotopic Molecular Weight | 301.046751773 |
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| IUPAC Name | {[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl]oxy}sulfonic acid |
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| Traditional Name | [(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl]oxysulfonic acid |
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| CAS Registry Number | 10357-00-3 |
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| SMILES | CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)COS(O)(=O)=O |
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| InChI Identifier | InChI=1S/C8H15NO9S/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H,15,16,17)/t5-,6+,7+,8-/m0/s1 |
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| InChI Key | NHZWETQZLORZIR-OSMVPFSASA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as monosaccharide sulfates. These are monosaccharides that contain a sulfate group linked to the sugar moiety. |
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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 | Monosaccharide sulfates |
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| Alternative Parents | |
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| Substituents | - Monosaccharide sulfate
- Amino saccharide
- Beta-hydroxy aldehyde
- Sulfuric acid monoester
- Sulfate-ester
- Sulfuric acid ester
- Alkyl sulfate
- Organic sulfuric acid or derivatives
- Acetamide
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Polyol
- Carboxylic acid derivative
- Aldehyde
- Organonitrogen compound
- Organopnictogen compound
- Alcohol
- Carbonyl group
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- 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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