Metabolomics Structure Database

 
MW REGNO: 38001
Common Name:Hyaluronic acid
Systematic Name:(2S,3S,4R,5R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid
RefMet Name:Hyaluronic acid
Synonyms:(2S,3S,4R,5R)-6-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-4-yl]oxy}-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid [PubChem Synonyms]
Exact Mass:
425.1533 (neutral)    Calculate m/z:
Formula:C16H27NO12
InChIKey:OEANUJAFZLQYOD-DDKBAWAXSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:N-acyl-alpha-hexosamines [C0002276]
SMILES:CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1OC)O)OC1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)OC)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:53477741
HMDB ID:HMDB0002061
KEGG ID:C00518
MetaCyc ID:HYALURONATE

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

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