Metabolomics Structure Database
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MW REGNO: | 78564 |
Common Name: | 4-Hydroxycinnamate sulfate |
Systematic Name: | (E)-3-(4-sulfooxyphenyl)prop-2-enoic acid |
RefMet Name: | 4-Hydroxycinnamate sulfate |
Synonyms: | p-Sulfoxycinnamic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H8O6S |
InChIKey: | OYDCCWNLILCHDJ-ZZXKWVIFSA-N |
ClassyFire superclass: | Phenylpropanoids and polyketides [C0000261] |
ClassyFire class: | Cinnamic acids and derivatives [C0000476] |
ClassyFire subclass: | Cinnamic acids [C0002504] |
SMILES: | c1cc(ccc1/C=C/C(=O)O)OS(=O)(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6070438 |
HMDB ID: | HMDB0125166 |
Chemspider ID: | 4797737 |
Marine Natural Products DB: | CMNPD5896 |
Plant Metabolite Hub(Pmhub): | MS000050715 |
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