Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	35302
Common Name:	Nandrolone
Systematic Name:	17beta-hydroxyestr-4-en-3-one
RefMet Name:	Nandrolone
Synonyms:	(17beta)-17-hydroxyestr-4-en-3-one; 17beta-hydroxy-19-nor-4-androsten-3-one; 17beta-hydroxy-4-estren-3-one; 19-Norandrostenolone; 19-Nortestosterone; 4-estren-17beta-ol-3-one; Nandrolone [PubChem Synonyms]
Exact Mass:	274.1933 (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:	C18H26O2
InChIKey:	NPAGDVCDWIYMMC-IZPLOLCNSA-N
LIPID MAPS Category:	Sterol Lipids [ST]
LIPID MAPS mainclass:	Steroids [ST02]
LIPID MAPS subclass:	C18 steroids (estrogens) and derivatives [ST0201]
MoNA MS spectra:	View MS spectra
SMILES:	C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9904
LIPID MAPS ID:	LMST02010044
CHEBI ID:	7466
HMDB ID:	HMDB0002725
KEGG ID:	C07254
Chemspider ID:	9520
METLIN ID:	1434
EPA CompTox DB:	DTXCID00209298
Plant Metabolite Hub(Pmhub):	MS000000254

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