RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135675
RefMet name	32-Hydroxylanosterol
Systematic name	4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol
Synonyms	PubChem Synonyms
Sum Composition	ST 30:2;O2	View other entries in RefMet with this sum composition
Exact mass	442.381080 (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	C30H50O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34426 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25- 26,31-32H,8,10-19H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1
InChIKey	DWVYYKFZEDMMPU-PUXRVUTHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC[C@@H](C)[C@H]1CC[C@@]2(CO)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	Oxysterols
Distribution of 32-Hydroxylanosterol 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 32-Hydroxylanosterol
External Links
Pubchem CID	22298935
LIPID MAPS	LMST01010124
ChEBI ID	166806
KEGG ID	C01943
HMDB ID	HMDB0001242
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 32-Hydroxylanosterol

Rxn ID	KEGG Reaction	Enzyme
R05731	Obtusifoliol + 3 [Reduced NADPH---hemoprotein reductase] + 3 Oxygen <=> 4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol + Formate + 3 [Oxidized NADPH---hemoprotein reductase] + 4 H2O	obtusifoliol,[reduced NADPH---hemoprotein reductase]:oxygen oxidoreductase (14-methyl cleaving)

Table of KEGG human pathways containing 32-Hydroxylanosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	1