RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135643
RefMet name	Desmosterol
Systematic name	cholest-5,24-dien-3beta-ol
Synonyms	PubChem Synonyms
Sum Composition	ST 27:2;O	View other entries in RefMet with this sum composition
Exact mass	384.339215 (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	C27H44O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	34376 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10- 17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	AVSXSVCZWQODGV-DPAQBDIFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)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 Desmosterol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Desmosterol
External Links
Pubchem CID	439577
LIPID MAPS	LMST01010016
ChEBI ID	17737
KEGG ID	C01802
HMDB ID	HMDB0002719
Chemspider ID	388662
MetaCyc ID	DESMOSTEROL-CPD
EPA CompTox	DTXCID80810725
Spectral data for Desmosterol 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 Desmosterol

Rxn ID	KEGG Reaction	Enzyme
R01457	Cholesterol + NADP+ <=> Desmosterol + H+ + NADPH	cholesterol:NADP+ Delta24-oxidoreductase

Table of KEGG human pathways containing Desmosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	1