RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135767
RefMet name	Cortisol
Systematic name	11beta,17,21-trihydroxypregn-4-ene-3,20-dione
Synonyms	PubChem Synonyms
Sum Composition	ST 21:3;O5	View other entries in RefMet with this sum composition
Exact mass	362.209325 (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	C21H30O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	35388 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-1 1H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey	JYGXADMDTFJGBT-VWUMJDOOSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](C(=O)CO)([C@@]3(C)C[C@@H]([C@H]21)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Steroids
Sub Class	C21 Steroids
Distribution of Cortisol 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 Cortisol
External Links
Pubchem CID	5754
LIPID MAPS	LMST02030001
ChEBI ID	17650
KEGG ID	C00735
HMDB ID	HMDB0000063
Chemspider ID	5551
MetaCyc ID	CORTISOL
Spectral data for Cortisol standards
MassBank(EU)	View MS 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 Cortisol

Rxn ID	KEGG Reaction	Enzyme
R02834	Cortisol + NAD+ <=> Cortisone + NADH + H+	Cortisol:NAD+ 11-oxidoreductase
R02836	Cortisol + NADP+ <=> Cortisone + NADPH + H+	Cortisol:NADP+ 11-oxidoreductase
R02838	21-Deoxycortisol + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Cortisol + [Oxidized NADPH---hemoprotein reductase] + H2O	21-deoxycortisol,NADPH-hemoprotein reductase:oxygen oxidoreductase (21-hydroxylating)
R02840	Cortisol + H+ + NADH <=> 11beta,17alpha,21-Trihydroxypregnenolone + NAD+	Cortisol delta5-delat4-isomerase
R02841	11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione + NADP+ <=> Cortisol + NADPH + H+	11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione:NADP+ delta4-oxidoreductase
R02843	11-Deoxycortisol + 2 Reduced ferredoxin + Oxygen + 2 H+ <=> Cortisol + 2 Oxidized ferredoxin + H2O	steroid,reduced ferredoxin:oxygen oxidoreductase (11-hydroxylating)

Table of KEGG human pathways containing Cortisol

Pathway ID	Human Pathway	# of reactions
hsa00140	Steroid hormone biosynthesis	6