Metabolomics Structure Database
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MW REGNO: | 199695 |
Common Name: | N-acetyl-glucosaminic acid |
Systematic Name: | (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxy-hexanoic acid |
RefMet Name: | N-acetyl-glucosaminic acid |
Synonyms: | N-acetyl-D-glucosaminic acid; N-Acetyl-D-glucosaminate [PubChem Synonyms] |
Exact Mass: | |
Formula: | C8H15NO7 |
InChIKey: | LZKNVSNNPRQZJB-DBRKOABJSA-N |
ClassyFire superclass: | Organic acids and derivatives |
ClassyFire class: | Carboxylic acids and derivatives |
ClassyFire subclass: | Amino acids, peptides, and analogues |
ClassyFire direct parent: | N-acyl-alpha amino acids |
SMILES: | CC(=O)N[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)C(O)=O |
Studies: | Available studies (via RefMet name) |
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External database links:
PubChem CID: | 5460401 |
CHEBI ID: | 16948 |
KEGG ID: | C01133 |
Chemspider ID: | 4573937 |
Plant Metabolite Hub(Pmhub): | MS000017113 |
Calculated physicochemical properties:
No data available
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y