Metabolomics Structure Database

 
MW REGNO: 35401
Common Name:Tetrahydrocorticosterone
Systematic Name:3alpha,11beta,21-5alpha-trihydroxy-pregnane-20-one
RefMet Name:Tetrahydrocorticosterone
Synonyms: [PubChem Synonyms]
Exact Mass:
350.2457 (neutral)    Calculate m/z:
Formula:C21H34O4
InChIKey:RHQQHZQUAMFINJ-DTDWNVJFSA-N
LIPID MAPS Category:Sterol Lipids [ST]
LIPID MAPS mainclass:Steroids [ST02]
LIPID MAPS subclass:C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Massbank MS spectra:View MS spectra
SMILES:C[C@]12CC[C@H](C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)C[C@@H]([C@H]21)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:65553
LIPID MAPS ID:LMST02030100
CHEBI ID:9481
HMDB ID:HMDB0000268
KEGG ID:C05476
Plant Metabolite Hub(Pmhub):MS000004158

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

  logo