RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0010757
RefMet name	Zymosterone
Systematic name	5alpha-cholesta-8,24-dien-3-one
Synonyms	PubChem Synonyms
Sum Composition	ST 27:3;O	View other entries in RefMet with this sum composition
Exact mass	382.323565 (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	C27H42O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34458 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2, 1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1
InChIKey	AUNLIRXIJAVBNM-ZSBATXSLSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1CC3)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Distribution of Zymosterone 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 Zymosterone
External Links
Pubchem CID	22298942
LIPID MAPS	LMST01010168
ChEBI ID	52386
KEGG ID	C22136
HMDB ID	HMDB0304222
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 Zymosterone

Rxn ID	KEGG Reaction	Enzyme
R12404	4alpha-Carboxy-5alpha-cholesta-8,24-dien-3beta-ol + NADP+ <=> Zymosterone + NADPH + H+ + CO2	4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol:NADP+ 3-oxidoreductase (decarboxylating)
R12405	Zymosterone + NADPH + H+ <=> Zymosterol + NADP+	zymosterol:NADP+ 3-oxidoreductase

Table of KEGG human pathways containing Zymosterone

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	2