Metabolomics Structure Database
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MW REGNO: | 43935 |
Common Name: | Asparagusic acid syn-S-oxide |
Systematic Name: | 1-oxo-1$l^{4},2-dithiolane-4-carboxylic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C4H6O3S2 |
InChIKey: | WKCDMZVXQHXDPX-UHFFFAOYSA-N |
ClassyFire superclass: | Organoheterocyclic compounds [C0000002] |
ClassyFire class: | Dithiolanes [C0000484] |
ClassyFire subclass: | Dithiolanecarboxylic acids [C0003378] |
ClassyFire direct parent: | 1,2-dithiolane-4-carboxylic acids [C0003375] |
SMILES: | C1C(CS(=O)S1)C(=O)O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6451512 |
HMDB ID: | HMDB0029612 |
Chemspider ID: | 4953976 |
Plant Metabolite Hub(Pmhub): | MS000244300 |
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