RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135878
RefMet name	Dopamine
Systematic name	4-(2-aminoethyl)benzene-1,2-diol
Synonyms	PubChem Synonyms
Exact mass	153.078979 (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	C8H11NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37060 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKey	VYFYYTLLBUKUHU-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c(cc1CCN)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Phenylethylamines
Distribution of Dopamine 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 Dopamine
External Links
Pubchem CID	681
ChEBI ID	18243
KEGG ID	C03758
HMDB ID	HMDB0000073
Chemspider ID	661
MetaCyc ID	DOPAMINE
EPA CompTox	DTXCID602420
PhytoHub DB	PHUB000775
Spectral data for Dopamine 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 Dopamine

Rxn ID	KEGG Reaction	Enzyme
R02080	3,4-Dihydroxy-L-phenylalanine <=> Dopamine + CO2	3,4-Dihydroxy-L-phenylalanine carboxy-lyase
R02535	Dopamine + Ascorbate + Oxygen <=> L-Noradrenaline + Dehydroascorbate + H2O	3,4-dihydroxyphenetylamine,ascorbate:oxygen oxidoreductase (beta-hydroxylating)
R04300	Dopamine + H2O + Oxygen <=> 3,4-Dihydroxyphenylacetaldehyde + Ammonia + Hydrogen peroxide	4-(2-Aminoethyl)-1,2-benzenediol:oxygen oxidoreductase(deaminating)(flavin-containing)
R04301	S-Adenosyl-L-methionine + Dopamine <=> S-Adenosyl-L-homocysteine + 3-Methoxytyramine	S-Adenosyl-L-methionine:catechol O-methyltransferase

Table of KEGG human pathways containing Dopamine

Pathway ID	Human Pathway	# of reactions
hsa00350	Tyrosine metabolism	4