Metabolomics Structure Database

 
MW REGNO: 38848
Common Name:Dopamine 3-O-sulfate
Systematic Name:[5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid
RefMet Name:Dopamine 3-O-sulfate
Synonyms: [PubChem Synonyms]
Exact Mass:
233.0358 (neutral)    Calculate m/z:
Formula:C8H11NO5S
InChIKey:NZKRYJGNYPYXJZ-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic sulfuric acids and derivatives [C0000403]
ClassyFire subclass:Arylsulfates [C0004258]
ClassyFire direct parent:Phenylsulfates [C0002626]
SMILES:NCCc1cc(OS(O)(=O)=O)c(O)cc1
Studies:Available studies (via RefMet name)

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Human Pathway links:

REACTOME pathways containing this metabolite

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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