RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0049799
RefMet name	Tryptamine
Systematic name	2-(1H-indol-3-yl)ethan-1-amine
Synonyms	PubChem Synonyms
Exact mass	160.100048 (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	C10H12N2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37195 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey	APJYDQYYACXCRM-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc2c(c1)c(CCN)c[nH]2 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Tryptamines
Distribution of Tryptamine 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 Tryptamine
External Links
Pubchem CID	1150
ChEBI ID	16765
KEGG ID	C00398
HMDB ID	HMDB0000303
Chemspider ID	1118
MetaCyc ID	TRYPTAMINE
EPA CompTox	DTXCID3042922
PhytoHub DB	PHUB000787
Spectral data for Tryptamine 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 Tryptamine

Rxn ID	KEGG Reaction	Enzyme
R00685	L-Tryptophan <=> Tryptamine + CO2	L-tryptophan decarboxy-lyase
R02173	Tryptamine + H2O + Oxygen <=> Indole-3-acetaldehyde + Ammonia + Hydrogen peroxide	Tryptamine:oxygen oxidoreductase(deaminating)
R02174	S-Adenosyl-L-methionine + Tryptamine <=> S-Adenosyl-L-homocysteine + N-Methyltryptamine	S-Adenosyl-L-methionine:amine N-methyltransferase

Table of KEGG human pathways containing Tryptamine

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	3