Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	35438
Common Name:	Progesterone
Systematic Name:	pregn-4-ene-3,20-dione
RefMet Name:	Progesterone
Synonyms:	(S)-4-Pregnene-3,20-dione; (S)-Pregn-4-en-3,20-dione; (S)-Progesterone; 17alpha-progesterone; 4-Pregnene-3,20-dione; Agolutin; Akrolutin; Crinone; Delta(4)-pregnene-3,20-dione; Gelbkoerperhormon; PROGESTERONE; Progesteron; Progesterone; corpus luteum hormone; luteohormone; progesterone [PubChem Synonyms]
Exact Mass:	314.2246 (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:	C21H30O2
InChIKey:	RJKFOVLPORLFTN-LEKSSAKUSA-N
LIPID MAPS Category:	Sterol Lipids [ST]
LIPID MAPS mainclass:	Steroids [ST02]
LIPID MAPS subclass:	C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
MoNA MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5994
LIPID MAPS ID:	LMST02030159
CHEBI ID:	17026
HMDB ID:	HMDB0001830
KEGG ID:	C00410
Chemspider ID:	5773
METLIN ID:	402
BMRB ID:	bmse000482
MetaCyc ID:	PROGESTERONE
NP-MRD ID(NMR):	NP0000819
EPA CompTox DB:	DTXCID20208869
Plant Metabolite Hub(Pmhub):	MS000000464

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