RefMet Compound Details

RefMet ID	RM0050344
MW structure	37167 (View MW Metabolite Database details)
RefMet name	Serotonin
Systematic name	3-(2-aminoethyl)-1H-indol-5-ol
SMILES	c1cc2c(cc1O)c(CCN)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Tryptamines
Pubchem CID	5202
ChEBI ID	28790
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