Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	87114
Common Name:	N-hydroxy-tryptamine
Systematic Name:	N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
RefMet Name:	N-Hydroxy-tryptamine
Synonyms:	N-hydroxyl-tryptamine [PubChem Synonyms]
Exact Mass:	176.0950 (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:	C10H12N2O
InChIKey:	SNIXRMIHFOIVBB-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Indoles and derivatives [C0000211]
ClassyFire subclass:	Indoles [C0002497]
ClassyFire direct parent:	3-alkylindoles [C0004196]
SMILES:	c1ccc2c(c1)c(CCNO)c[nH]2
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	13571630
CHEBI ID:	80959
HMDB ID:	HMDB0255154
KEGG ID:	C17203
Chemspider ID:	10391819
Plant Metabolite Hub(Pmhub):	MS000016516

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