Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	71454
Common Name:	CYSTAMINE
Systematic Name:	2-(2-aminoethyldisulfanyl)ethylamine
RefMet Name:	Cystamine
Synonyms:	[PubChem Synonyms]
Exact Mass:	152.0440 (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:	C4H12N2S2
InChIKey:	APQPRKLAWCIJEK-UHFFFAOYSA-N
ClassyFire superclass:	Organosulfur compounds [C0000004]
ClassyFire class:	Organic disulfides [C0002800]
ClassyFire subclass:	Dialkyldisulfides [C0004089]
ClassyFire direct parent:	Dialkyldisulfides [C0004089]
MoNA MS spectra:	View MS spectra
SMILES:	C(CSSCCN)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	2915
HMDB ID:	HMDB0250701
MetaCyc ID:	CYSTAMINE
Plant Metabolite Hub(Pmhub):	MS000006696

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