RefMet Compound Details

RefMet ID	RM0135644
MW structure	34377 (View MW Metabolite Database details)
RefMet name	Lanosterol
Systematic name	lanosta-8,24-dien-3beta-ol
SMILES	CC(=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](C(C)(C)[C@@H]1CC3)O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	ST 30:2;O	View other entries in RefMet with this sum composition
Exact mass	426.386165 (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	C30H50O	View other entries in RefMet with this formula
InChI	InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26, 31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey	CAHGCLMLTWQZNJ-BQNIITSRSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Pubchem CID	246983
ChEBI ID	16521
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Lanosterol

Rxn ID	KEGG Reaction	Enzyme
R03199	(S)-2,3-Epoxysqualene <=> Lanosterol	(S)-2,3-Epoxysqualene mutase (cyclizing, lanosterol-forming)
R03689	Lanosterol + NADPH + H+ <=> 24,25-Dihydrolanosterol + NADP+	lanosterol delta24-reductase
R05640	Lanosterol + 3 [Reduced NADPH---hemoprotein reductase] + 3 Oxygen <=> 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol + Formate + 3 [Oxidized NADPH---hemoprotein reductase] + 4 H2O	lanosterol,[reduced NADPH---hemoprotein reductase]:oxygen oxidoreductase (14-methyl cleaving)
R12323	Lanosterol + 6 Reduced ferredoxin + 6 H+ + 3 Oxygen <=> 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol + Formate + 6 Oxidized ferredoxin + 4 H2O	lanosterol,reduced ferredoxin:oxygen oxidoreductase (14-methyl cleaving)

Table of KEGG human pathways containing Lanosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	4