RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0050344
RefMet name	Serotonin
Systematic name	3-(2-aminoethyl)-1H-indol-5-ol
Synonyms	PubChem Synonyms
Exact mass	176.094963 (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	C10H12N2O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37167 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKey	QZAYGJVTTNCVMB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc2c(cc1O)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 Serotonin 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 Serotonin
External Links
Pubchem CID	5202
ChEBI ID	28790
KEGG ID	C00780
HMDB ID	HMDB0000259
Chemspider ID	5013
MetaCyc ID	SEROTONIN
EPA CompTox	DTXCID4040765
PhytoHub DB	PHUB000782
Spectral data for Serotonin 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 Serotonin

Rxn ID	KEGG Reaction	Enzyme
R02701	5-Hydroxy-L-tryptophan <=> Serotonin + CO2	5-Hydroxy-L-tryptophan decarboxy-lyase
R02908	Serotonin + H2O + Oxygen <=> 5-Hydroxyindoleacetaldehyde + Ammonia + Hydrogen peroxide	5-Hydroxytryptamine:oxygen oxidoreductase(deaminating)(flavin-containing)
R02909	Serotonin + Oxygen <=> Formyl-5-hydroxykynurenamine	5-hydroxytryptamine:oxygen 2,3-dioxygenase (indole-decyclizing)
R02910	S-Adenosyl-L-methionine + Serotonin <=> S-Adenosyl-L-homocysteine + N-Methylserotonin	S-Adenosyl-L-methionine:amine N-methyltransferase
R02911	Acetyl-CoA + Serotonin <=> CoA + N-Acetylserotonin	acetyl-CoA:aralkylamine N-acetyltransferase

Table of KEGG human pathways containing Serotonin

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	5