RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135651
RefMet name	Zymosterol
Systematic name	5alpha-cholesta-8,24-dien-3beta-ol
Synonyms	PubChem Synonyms
Sum Composition	ST 27:2;O	View other entries in RefMet with this sum composition
Exact mass	384.339215 (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	C27H44O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34387 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C27H44O/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/h7,19-21,23-24,28H,6,8-17 H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
InChIKey	CGSJXLIKVBJVRY-XTGBIJOFSA-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)CC[C@@H](C[C@@H]1CC3)O)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 Zymosterol 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 Zymosterol
External Links
Pubchem CID	92746
LIPID MAPS	LMST01010066
ChEBI ID	18252
KEGG ID	C05437
HMDB ID	HMDB0006271
Chemspider ID	83724
MetaCyc ID	ZYMOSTEROL
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 Zymosterol

Rxn ID	KEGG Reaction	Enzyme
R04804	Zymosterol <=> 5alpha-Cholesta-7,24-dien-3beta-ol	delta8,24-Cholestadien-3beta-ol delta7-delta8-isomerase
R07498	Zymosterol + NADPH + H+ <=> 5alpha-Cholest-8-en-3beta-ol + NADP+	Zymosterol + NADPH + H+ <=> 5alpha-Cholest-8-en-3beta-ol + NADP+
R12405	Zymosterone + NADPH + H+ <=> Zymosterol + NADP+	zymosterol:NADP+ 3-oxidoreductase

Table of KEGG human pathways containing Zymosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	3