Metabolomics Structure Database

 
MW REGNO: 36947
Common Name:5alpha-androstane-3alpha-ol-17-one sulfate
Systematic Name:3alpha-hydroxy-5alpha-androstan-17-one 3-sulfate
RefMet Name:5alpha-Androstane-3alpha-ol-17-one sulfate
Synonyms: [PubChem Synonyms]
Exact Mass:
370.1814 (neutral)    Calculate m/z:
Formula:C19H30O5S
InChIKey:ZMITXKRGXGRMKS-HLUDHZFRSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Steroid conjugates [ST05]
LIPID MAPS subclass:Sulfates [ST0502]
SMILES:C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](CC[C@]43C)OS(O)(=O)=O)[C@H]1CCC2=O
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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