Metabolomics Structure Database
|
MW REGNO: | 54282 |
Common Name: | Naphthalene-1-sulfonic acid |
Systematic Name: | naphthalene-1-sulfonic acid |
RefMet Name: | Naphthalene-1-sulfonic acid |
Synonyms: | 1-naphthalenesulfonic acid; alpha-naphthalenesulfonic acid; naphthalene-1-sulphonic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C10H8O3S |
InChIKey: | PSZYNBSKGUBXEH-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Naphthalenes [C0000023] |
ClassyFire subclass: | Naphthalene sulfonic acids and derivatives [C0003597] |
ClassyFire direct parent: | 1-naphthalene sulfonates [C0003600] |
MoNA MS spectra: | View MS spectra |
SMILES: | c1ccc2c(c1)cccc2S(=O)(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
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