Metabolomics Structure Database

 
MW REGNO: 37195
Common Name:Tryptamine
Systematic Name:2-(1H-indol-3-yl)ethan-1-amine
RefMet Name:Tryptamine
Synonyms: [PubChem Synonyms]
Exact Mass:
160.1000 (neutral)    Calculate m/z:
Formula:C10H12N2
InChIKey:APJYDQYYACXCRM-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Tryptamines and derivatives [C0000183]
ClassyFire direct parent:Tryptamines and derivatives [C0000183]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:NCCc1c[nH]c2ccccc12
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:1150
CHEBI ID:16765
HMDB ID:HMDB0000303
KEGG ID:C00398
Chemspider ID:1118
METLIN ID:325
BMRB ID:bmse000207
MetaCyc ID:TRYPTAMINE
NP-MRD ID(NMR):NP0000058
EPA CompTox DB:DTXCID3042922
Plant Metabolite Hub(Pmhub):MS000000981

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

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