RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135644
RefMet name	Lanosterol
Systematic name	lanosta-8,24-dien-3beta-ol
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	34377 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Distribution of Lanosterol 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 Lanosterol
External Links
Pubchem CID	246983
LIPID MAPS	LMST01010017
ChEBI ID	16521
KEGG ID	C01724
HMDB ID	HMDB0001251
Chemspider ID	216175
MetaCyc ID	LANOSTEROL
EPA CompTox	DTXCID20209674
Spectral data for Lanosterol standards
MassBank(EU)	View MS spectra
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 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