RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0028095
RefMet name	Lathosterol
Systematic name	cholest-7-en-3beta-ol
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	34396 (Download molfile/View MW Metabolite Database details)
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/h10,18-21,23-25,28H,6-9,1 1-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey	IZVFFXVYBHFIHY-SKCNUYALSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sterol Lipids
Main Class	Sterols
Sub Class	Cholesterols
Distribution of Lathosterol 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 Lathosterol
External Links
Pubchem CID	65728
LIPID MAPS	LMST01010089
ChEBI ID	17168
KEGG ID	C01189
HMDB ID	HMDB0001170
Chemspider ID	59151
MetaCyc ID	CPD-4186
Spectral data for Lathosterol standards
NP-MRD ID(NMR)	View NMR 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 Lathosterol

Rxn ID	KEGG Reaction	Enzyme
R03353	Lathosterol <=> 5alpha-Cholest-8-en-3beta-ol	5alpha-Cholest-7-en-3beta-ol delta7-delta8-isomerase
R05703	Lathosterol + NADP+ <=> 5alpha-Cholesta-7,24-dien-3beta-ol + NADPH + H+	lanosterol D24-reductase
R07215	Lathosterol + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> 7-Dehydrocholesterol + 2 Ferricytochrome b5 + 2 H2O	lathosterol,ferrocytochrome b5:oxygen oxidoreductase 5,6-dehydrogenating

Table of KEGG human pathways containing Lathosterol

Pathway ID	Human Pathway	# of reactions
hsa00100	Steroid biosynthesis	3