RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0129784
RefMet name	Cysteine
Systematic name	(2R)-2-amino-3-sulfanylpropanoic acid
Synonyms	PubChem Synonyms
Exact mass	121.019751 (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	C3H7NO2S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37316 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey	XUJNEKJLAYXESH-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H](C(=O)O)N)S Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Cysteine 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 Cysteine
External Links
Pubchem CID	5862
ChEBI ID	35235
KEGG ID	C00097
HMDB ID	HMDB0000574
Chemspider ID	5653
MetaCyc ID	CYS
EPA CompTox	DTXCID3026988
Spectral data for Cysteine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 Cysteine

Rxn ID	KEGG Reaction	Enzyme
R00782	L-Cysteine + H2O <=> Hydrogen sulfide + Pyruvate + Ammonia	L-cysteine hydrogen-sulfide-lyase (deaminating
R00891	L-Serine + Hydrogen sulfide <=> L-Cysteine + H2O	L-serine hydro-lyase (adding hydrogen sulfide, L-cysteine-forming)
R00893	L-Cysteine + Oxygen <=> 3-Sulfino-L-alanine	L-Cysteine:oxygen oxidoreductase
R00895	L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + L-Glutamate	L-Cysteine:2-oxoglutarate aminotransferase
R00896	L-Cysteine + 2-Oxoglutarate <=> Mercaptopyruvate + Glutamate	L-cysteine:2-oxoglutarate aminotransferase
R01001	L-Cystathionine + H2O <=> L-Cysteine + Ammonia + 2-Oxobutanoate	L-cystathionine cysteine-lyase (deaminating
R03650	ATP + L-Cysteine + tRNA(Cys) <=> AMP + Diphosphate + L-Cysteinyl-tRNA(Cys)	L-Cysteine:tRNA(Cys) ligase (AMP-forming)

Table of KEGG human pathways containing Cysteine

Pathway ID	Human Pathway	# of reactions
hsa00270	Cysteine and methionine metabolism	4
hsa00480	Glutathione metabolism	3
hsa00260	Glycine, serine and threonine metabolism	2
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa01100	Metabolic pathways	1
hsa01230	Biosynthesis of amino acids	1
hsa00430	Taurine and hypotaurine metabolism	1
hsa00730	Thiamine metabolism	1