RefMet Compound Details

RefMet ID	RM0135663
MW structure	34402 (View MW Metabolite Database details)
RefMet name	Zymostenol
Systematic name	5alpha-cholest-8-en-3beta-ol
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)
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
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
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Pubchem CID	101770
ChEBI ID	16608
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