RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136211
RefMet name	Methanethiol
Systematic name	methanethiol
Synonyms	PubChem Synonyms
Exact mass	48.003371 (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	CH4S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38273 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/CH4S/c1-2/h2H,1H3
InChIKey	LSDPWZHWYPCBBB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CS Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organosulfur compounds
Main Class	Organosulfur compounds
Sub Class	Alkylthiols
Distribution of Methanethiol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Methanethiol
External Links
Pubchem CID	878
ChEBI ID	16007
KEGG ID	C00409
HMDB ID	HMDB0003227
Chemspider ID	855
MetaCyc ID	CPD-7671
EPA CompTox	DTXCID406382
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 Methanethiol

Rxn ID	KEGG Reaction	Enzyme
R01851	Methanethiol + Oxygen + H2O <=> Hydrogen sulfide + Formaldehyde + Hydrogen peroxide	Methanethiol:oxygen oxidoreductase

Table of KEGG human pathways containing Methanethiol

Pathway ID	Human Pathway	# of reactions
hsa00920	Sulfur metabolism	1