RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0159789
RefMet name	Adrenosterone
Systematic name	(1S,2R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14,17-trione
Synonyms	PubChem Synonyms
Exact mass	300.172545 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C19H24O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	39031 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,1 8-,19-/m0/s1
InChIKey	RZRPTBIGEANTGU-IRIMSJTPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC(=O)[C@H]21 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C19 Steroids
Distribution of Adrenosterone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Adrenosterone
External Links
Pubchem CID	223997
LIPID MAPS	LMST02020126
ChEBI ID	2495
KEGG ID	C05285
HMDB ID	HMDB0006772
Chemspider ID	194597
Spectral data for Adrenosterone standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Adrenosterone

Rxn ID	KEGG Reaction	Enzyme
R04758	11beta-Hydroxyandrost-4-ene-3,17-dione + NADP+ <=> Adrenosterone + NADPH + H+	11beta-Hydroxyandrost-4-ene-3,17-dione:NADP+ 11-oxidoreductase

Table of KEGG human pathways containing Adrenosterone

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	1