Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43109
Common Name:	Acetazolamide
Systematic Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
RefMet Name:	Acetazolamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	221.9881 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C4H6N4O3S2
InChIKey:	BZKPWHYZMXOIDC-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azoles [C0000436]
ClassyFire subclass:	Thiadiazoles [C0000093]
ClassyFire direct parent:	Thiadiazole sulfonamides [C0002326]
MoNA MS spectra:	View MS spectra
SMILES:	CC(=O)Nc1nnc(s1)S(=O)(=O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1986
CHEBI ID:	27690
HMDB ID:	HMDB0014957
KEGG ID:	C06805
Chemspider ID:	1909
MetaCyc ID:	CPD0-1626
EPA CompTox DB:	DTXCID002544
Plant Metabolite Hub(Pmhub):	MS000001377

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