Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	35465
Common Name:	Corticosterone
Systematic Name:	11beta,21-dihydroxypregn-4-ene-3,20-dione
RefMet Name:	Corticosterone
Synonyms:	(11beta)-11,21-dihydroxypregn-4-ene-3,20-dione; 11beta,21-Dihydroxy-4-pregnene-3,20-dione; 11beta,21-dihydroxyprogesterone; 17-deoxycortisol; CORTICOSTERONE; Corticosterone; Kendall's compound B; Reichstein's substance H; corticosterone [PubChem Synonyms]
Exact Mass:	346.2144 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C21H30O4
InChIKey:	OMFXVFTZEKFJBZ-HJTSIMOOSA-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
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)C[C@@H]([C@H]21)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5753
LIPID MAPS ID:	LMST02030186
CHEBI ID:	16827
HMDB ID:	HMDB0001547
KEGG ID:	C02140
Chemspider ID:	5550
METLIN ID:	6314
BMRB ID:	bmse000669
MetaCyc ID:	CORTICOSTERONE
NP-MRD ID(NMR):	NP0001330
EPA CompTox DB:	DTXCID50209162
Plant Metabolite Hub(Pmhub):	MS000000310

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