Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38231
Common Name:	Cysteamine
Systematic Name:	2-aminoethane-1-thiol
RefMet Name:	Cysteamine
Synonyms:	[PubChem Synonyms]
Exact Mass:	77.0299 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C2H7NS
InChIKey:	UFULAYFCSOUIOV-UHFFFAOYSA-N
ClassyFire superclass:	Organosulfur compounds [C0000004]
ClassyFire class:	Thiols [C0002485]
ClassyFire subclass:	Alkylthiols [C0001212]
ClassyFire direct parent:	Alkylthiols [C0001212]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	C(CS)N
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6058
CHEBI ID:	17141
HMDB ID:	HMDB0002991
KEGG ID:	C01678
Chemspider ID:	5834
METLIN ID:	3222
BMRB ID:	bmse000388
MetaCyc ID:	CPD-239
NP-MRD ID(NMR):	NP0000997
EPA CompTox DB:	DTXCID902875
Plant Metabolite Hub(Pmhub):	MS000006661

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y