RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135663
RefMet name	Zymostenol
Systematic name	5alpha-cholest-8-en-3beta-ol
Synonyms	PubChem Synonyms
Sum Composition	ST 27:1;O	View other entries in RefMet with this sum composition
Exact mass	386.354865 (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	C27H46O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34402 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C27H46O/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/h18-21,23-24,28H,6-17H2,1 -5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
InChIKey	QETLKNDKQOXZRP-XTGBIJOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)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 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Distribution of Zymostenol 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 Zymostenol
External Links
Pubchem CID	101770
LIPID MAPS	LMST01010096
ChEBI ID	16608
KEGG ID	C03845
HMDB ID	HMDB0006841
Chemspider ID	91952
MetaCyc ID	CPD-8621
EPA CompTox	DTXCID00221192
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 Zymostenol

Rxn ID	KEGG Reaction	Enzyme
R03353	Lathosterol <=> 5alpha-Cholest-8-en-3beta-ol	5alpha-Cholest-7-en-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+

Table of KEGG human pathways containing Zymostenol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	2