Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	35440
Common Name:	17alpha-hydroxyprogesterone
Systematic Name:	17-hydroxypregn-4-ene-3,20-dione
RefMet Name:	17alpha-Hydroxyprogesterone
Synonyms:	17-hydroxyprogesterone; 17alpha-Hydroxy-4-pregnene-3,20-dione; 17alpha-Hydroxy-progesterone; 17alpha-Hydroxyprogesterone; Pregn-4-ene-3,20-dione-17-ol; hydroxyprogesterone [PubChem Synonyms]
Exact Mass:	330.2195 (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:	C21H30O3
InChIKey:	DBPWSSGDRRHUNT-CEGNMAFCSA-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:	CC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6238
LIPID MAPS ID:	LMST02030161
CHEBI ID:	17252
HMDB ID:	HMDB0000374
KEGG ID:	C01176
Chemspider ID:	6002
METLIN ID:	5363
BMRB ID:	bmse000598
MetaCyc ID:	17-ALPHA-HYDROXYPROGESTERONE
NP-MRD ID(NMR):	NP0000699
Plant Metabolite Hub(Pmhub):	MS000006404

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