MiMeDB: Showing metabocard for Dopamine (MMDBc0029467)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:23:29 UTC

Update Date

2024-10-11 00:54:11 UTC

Metabolite ID

MMDBc0029467

Metabolite Identification

Common Name

Dopamine

Description

Dopamine is synthesized first by the hydration of the amino acid tyrosine to DOPA by tyrosine hydroxylase and then by the decarboxylation of DOPA by aromatic-L-amino-acid decarboxylase.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
2-(3,4-Dihydroxyphenyl)ethylamine	ChEBI
3,4-Dihydroxyphenethylamine	ChEBI
3-Hydroxytyramine	ChEBI
4-(2-Aminoethyl)-1,2-benzenediol	ChEBI
4-(2-Aminoethyl)benzene-1,2-diol	ChEBI
4-(2-Aminoethyl)catechol	ChEBI
4-(2-Aminoethyl)pyrocatechol	ChEBI
Deoxyepinephrine	ChEBI
Dopamina	ChEBI
Dopaminum	ChEBI
Hydroxytyramin	ChEBI
Medopa	Kegg
3,4-Dihydroxyphenylethylamine	HMDB
4-(2-Aminoethyl)-pyrocatechol	HMDB
a-(3,4-Dihydroxyphenyl)-b-aminoethane	HMDB
alpha-(3,4-Dihydroxyphenyl)-beta-aminoethane	HMDB
Dopamin	HMDB
Dopastat	HMDB
Dophamine	HMDB
Dynatra	HMDB
Hydroxytyramine	HMDB
Intropin	HMDB
Oxytyramine	HMDB
Revivan	HMDB
3,4 Dihydroxyphenethylamine	HMDB
Hydrochloride, dopamine	HMDB
Dopamine hydrochloride	HMDB

Molecular Formula

C₈H₁₁NO₂

Average Mass

153.1784

Monoisotopic Mass

153.078978601

IUPAC Name

4-(2-aminoethyl)benzene-1,2-diol

Traditional Name

dopamine

CAS Registry Number

62-31-7

SMILES

NCCC1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

InChI Key

VYFYYTLLBUKUHU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Catecholamines and derivatives

Alternative Parents

Substituents

Catecholamine
Phenethylamine
2-arylethylamine
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Monocyclic benzene moiety
Amine
Hydrocarbon derivative
Primary amine
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

catecholamine (CHEBI:18243 )
Biogenic amines (C03758 )
Tyramine derivatives (C03758 )
Dopamine (C03758 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	7.43 g/L	ALOGPS
logP	-0.4	ALOGPS
logP	0.03	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	10.01	ChemAxon
pKa (Strongest Basic)	9.27	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	66.48 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	43.25 m³·mol⁻¹	ChemAxon
Polarizability	16.21 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00di-1900000000-117a1a7207245f5377e7	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-00di-1900000000-8b7dcae82868308513da	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-1900000000-117a1a7207245f5377e7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00di-1900000000-8b7dcae82868308513da	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-8900000000-752bc8c11fa321b8a7ac	2017-07-27	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-0089-9280000000-c894c19dda88ac048dd4	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0uxu-4900000000-ff51177ebcb89b8c956c	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0006-9200000000-a554eb700a06cecb8292	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-014l-9000000000-db9813e1025f237a549b	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0udi-0900000000-27e0d71db6d14d79759c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-0uk9-0900000000-f1cf97c0d0dd509e229e	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-00di-0900000000-aa09a2411e287abe74ed	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-00di-1900000000-97c42b109cab2005373d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-006x-9700000000-974bd18febffcceea2d6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-0f79-0900000000-099173d4201beca9e548	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-000i-1900000000-9dc09f2661247c9d84b0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-0006-9300000000-8b85fa9aac1ffb4c2873	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-0006-9000000000-9ea16d2057010279d433	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-014l-9000000000-32ca2db8fe2b4729ab94	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-0f79-0900000000-ff587935c79b4592ffcf	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-000i-1900000000-8a35d8a2241bc18d6c50	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-0006-9300000000-356a4b8f268863c7893e	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-0006-9000000000-a88c1004f357858fbc6c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-014l-9000000000-271874005dcb90288512	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0udi-0900000000-cfa7e1cb9f02ffb4447d	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udr-0900000000-4e409c6edda911de39fe	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-1900000000-90aa0e0866454c2eacc7	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-1000-9400000000-210fd696305d8cf76164	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-ff95007680e484d3c57e	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-1900000000-6dcfecebbd98220ef746	2017-06-28	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0kil-6900000000-f476cfd569c441bc84aa	2017-06-28	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-00e9-8900000000-88acdc978fe4a64e0fc5	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Adipose Tissue
Adrenal Cortex
Adrenal Gland
Adrenal Medulla
Bladder
Blood
Brain
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Fibroblasts
Kidney
Neuron
Pancreas
Placenta
Platelet
Skeletal Muscle
Spleen
Testis
Urine

Tissue Locations

Adipose Tissue
Adrenal Cortex
Adrenal Gland
Adrenal Medulla
Bladder
Brain
Epidermis
Fibroblasts
Kidney
Neuron
Pancreas
Placenta
Platelet
Skeletal Muscle
Spleen
Testis

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191760	Tyrosinase	Unknown	P14679	Homo sapiens
MMDBp0191832	Amine oxidase [flavin-containing] B	Unknown	P27338	Homo sapiens
MMDBp0191840	Amine oxidase [flavin-containing] A	Unknown	P21397	Homo sapiens
MMDBp0191923	Dopamine beta-hydroxylase	Unknown	P09172	Homo sapiens
MMDBp0191942	Catechol O-methyltransferase	Unknown	P21964	Homo sapiens
MMDBp0191948	Aromatic-L-amino-acid decarboxylase	Enzyme	P20711	Homo sapiens
MMDBp0192057	Amiloride-sensitive amine oxidase [copper-containing]	Unknown	P19801	Homo sapiens
MMDBp0192060	Membrane primary amine oxidase	Unknown	Q16853	Homo sapiens
MMDBp0192061	Retina-specific copper amine oxidase	Unknown	O75106	Homo sapiens
MMDBp0192647	Cytochrome P450 2C9	Unknown	P11712	Homo sapiens
MMDBp0192649	Cytochrome P450 2C19	Unknown	P33261	Homo sapiens
MMDBp0193103	Cytochrome P450 2D6	Unknown	P10635	Homo sapiens
MMDBp0193115	Cytochrome P450 1A2	Unknown	P05177	Homo sapiens
MMDBp0193160	Solute carrier family 22 member 5	Transporter	O76082	Homo sapiens
MMDBp0193233	D(2) dopamine receptor	Enzyme	P14416	Homo sapiens
MMDBp0193569	D(4) dopamine receptor	Enzyme	P21917	Homo sapiens
MMDBp0193575	Sodium-dependent dopamine transporter	Unknown	Q01959	Homo sapiens
MMDBp0193588	Solute carrier family 22 member 1	Transporter	O15245	Homo sapiens
MMDBp0193966	Solute carrier family 22 member 2	Transporter	O15244	Homo sapiens
MMDBp0193967	Solute carrier family 22 member 3	Transporter	O75751	Homo sapiens
MMDBp0194308	Neuron-specific vesicular protein calcyon	Unknown	Q9NYX4	Homo sapiens
MMDBp0194325	Calcium-dependent secretion activator 1	Unknown	Q9ULU8	Homo sapiens
MMDBp0194326	Calcium-dependent secretion activator 2	Unknown	Q86UW7	Homo sapiens
MMDBp0196353	D(3) dopamine receptor	Unknown	P35462	Homo sapiens
MMDBp0196354	D(1A) dopamine receptor	Unknown	P21728	Homo sapiens
MMDBp0196359	D(1B) dopamine receptor	Unknown	P21918	Homo sapiens
MMDBp0196360	Dopamine D4 receptor	Unknown	Q99586	Homo sapiens
MMDBp0196361	Dopamine D4 receptor	Unknown	Q99587	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000067	L-Dopa	Dopamine	Not Available	VMH	30371894
MMDBr0000089	Dopamine	3,4-Dihydroxyphenylacetaldehyde	Not Available	VMH; KEGG	15035803 8920635 9653080
MMDBr0000810	Ascorbic acid	Dehydroascorbic acid	dopamine beta-hydroxylase (dopamine beta-monooxygenase)	VMH	30371894
MMDBr0000812	S-Adenosylmethionine	3-Methoxytyramine	catechol-O-methyltransferase	VMH; KEGG	1847521
MMDBr0000815	Dopamine	Dopamine 3-O-sulfate	sulfotransferase family, cytosolic, 1A, phenol-preferring, member 1	VMH	11535246 15293241
MMDBr0004124	Acetaldehyde	(R)-Salsolinol	Not Available	VMH	10556560 8891913
MMDBr0004125	Dopamine	Salsolinol 1-carboxylate	Not Available	VMH	10556560 8891914
MMDBr0004131	3,4-Dihydroxyphenylacetaldehyde	(R,S)-Norlaudanosoline	Not Available	VMH	10556560 8891913
MMDBr0004180	Dopamine	Norsalsolinol	Not Available	VMH	8891913
MMDBr0004502	Dopamine	Dopamine O-Quinone	peroxiredoxin 6	VMH	9164836
MMDBr0004503	Dopamine	Dopamine O-Quinone	myeloperoxidase	VMH	9164836
MMDBr0004504	Dopamine	Dopamine O-Quinone	Not Available	VMH	9164836
MMDBr0006667	Tyramine	Dopamine	Not Available	VMH	30371894
MMDBr0009062	Dopamine	Dopamine 4-sulfate	sulfotransferase family, cytosolic, 1A, phenol-preferring, member 1	VMH	30371894
MMDBr0009063	Dopamine	Dopamine glucuronide	chondroitin polymerizing factor	VMH	30371894
MMDBr0009064	Dopamine	Dopamine-3-O-Glucuronide	chondroitin polymerizing factor	VMH	30371894
MMDBr0009065	Dopamine	Dopamine O-Quinone	tyrosinase	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease	Decreased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	10494443
Alzheimer's disease	Increased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	17031479
Alzheimer's disease		Association	Human Blood	HMDB	17031479
Aromatic l-amino acid decarboxylase deficiency		Association	Human Urine	HMDB	9686366
Aromatic l-amino acid decarboxylase deficiency		Association	Human Urine	HMDB	16288991
Bacterial meningitis		Association	Human Cerebrospinal Fluid (CSF)	HMDB	4031843
Cerebral infarction		Association	Human Cerebrospinal Fluid (CSF)	HMDB	4031843
Encephalitis		Association	Human Cerebrospinal Fluid (CSF)	HMDB	4031843
Hypothyroidism	Decreased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	9849813
Vitiligo		Association	Human Urine	HMDB	12622787
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	208	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	93	Human feces; Pig ; Human ; Cattle	Metabolic reconstruction
Bacteria	Actinobacteria	86	Human feces; Human ; Human supragingival plaque	Metabolic reconstruction
Bacteria	Bacteroidetes	6	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria	Fusobacteria	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal	Milk	Bos taurus	FooDB	28342601
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Root	Beta vulgaris var. rubra	FooDB	DUKE
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Rubus idaeus	FooDB	Manually Annotated
Plant		Musa x paradisiaca	FooDB	24285751
Plant		Spinacia oleracea	FooDB	Manually Annotated
Plant	Fruit	Persea americana	FooDB	DUKE
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Fruit	Solanum melongena	FooDB	Mohamed Hassas Roudsari, Alice Signoret, Jean Crouzet. Eggplant polyphenol oxidase: Purification, characterisation and properties. Food Chemistry, 7(3), November 1981, 227-239
Plant	Plant	Portulaca oleracea	FooDB	DUKE
Plant	Plant	Annona reticulata	FooDB	DUKE
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant	Leaves	Spinacia oleracea	FooDB	DUKE
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant	Seed	Theobroma cacao	FooDB	DUKE
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Musa acuminata	FooDB	PhytoHub
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant	Fruit	Solanum lycopersicum	FooDB	24285751
Plant	Fruit	Musa x paradisiaca	FooDB	DUKE
Plant		Solanum tuberosum	FooDB	24285751

Source Type	Activity	Data Source	Reference
Not Available	Neurotoxicity	U.S. Environmental Protection Agency	CompTox
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.000078		0.0000065	0.00015	uM	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	10494443
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.34	0.10			uM	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Blood	Detected and Quantified	18.0284	2.4552			uM	Elderly (>65 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Urine	Detected and Quantified	2.7				umol/mmol creatinine	Children (1-13 years old)	Female	Aromatic L-amino acid decarboxylase deficiency	HMDB	9686366
Human Urine	Detected and Quantified	3.91				umol/mmol creatinine	Infant (0-1 year old)	Female	Aromatic L-amino acid decarboxylase deficiency	HMDB	9686366
Human Urine	Detected and Quantified	2426	0			nmol/mmol creatinine	Infant (0-1 year old)	Male	Aromatic L-amino acid decarboxylase deficiency	HMDB	16288991
Human Urine	Detected and Quantified	3.119	0			umol/mmol creatinine	Infant (0-1 year old)	Male	Aromatic L-amino acid decarboxylase deficiency	HMDB	16288991
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.00051				uM	Adult (>18 years old)	Not Specified	Bacterial meningitis	HMDB	4031843
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0003				uM	Adult (>18 years old)	Not Specified	Cerebral infarction, headache, paresthesia and ununconfirmed suspicion of leucemic infaction or brain metastasis with normal CSF value but renal insufficiency	HMDB	4031843
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.000268	0.000124			uM	Adult (>18 years old)	Not Specified	Cerebral infarction, headache, paresthesia and ununconfirmed suspicion of leucemic infaction or brain metastasis with normal CSF value	HMDB	4031843
Human Urine	Detected and Quantified	0.124				umol/mmol creatinine	Adolescent (13-18 years old)	Female	Dopamine-serotonin Vesicular Transport Defect	HMDB	23363473
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.000287				uM	Adult (>18 years old)	Not Specified	Encephalitis	HMDB	4031843
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.00002	0.000006			uM	Adult (>18 years old)	Both	Hypothyroidism	HMDB	9849813
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.000021		0.000015	0.000027	uM	Adult (>18 years old)	Both	Hypothyroidism	HMDB	9849813
Human Urine	Detected and Quantified	0.37	0.03			umol/mmol creatinine	Children (1-13 years old)	Both	Vitiligo	HMDB	12622787
Human Urine	Detected and Quantified	0.4	0.05			umol/mmol creatinine	Children (1-13 years old)	Both	Vitiligo	HMDB	12622787
Human Urine	Detected and Quantified	0.49	0.06			umol/mmol creatinine	Infant (0-1 year old)	Both	Vitiligo	HMDB	12622787
Human Urine	Detected and Quantified	0.84				umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	21670092
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.002	0.002			uM	Adult (>18 years old)	Both	Normal	HMDB	12834252
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0045	0.0026			uM	Adult (>18 years old)	Both	Normal	HMDB	10494443
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.0059	0.002			uM	Elderly (>65 years old)	Both	Normal	HMDB	10494443
Human Urine	Detected and Quantified	0.107		0.043	0.172	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15080725
Human Urine	Detected and Quantified			0.13	2.63	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Urine	Detected and Quantified			0.200	5.220	umol/mmol creatinine	Children (1-13 years old)	Female	Normal	HMDB	9686366
Human Urine	Detected and Quantified	0.22	0.07			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	12622787
Human Urine	Detected and Quantified			0.261	1.697	umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	23363473
Human Urine	Detected and Quantified	0.4		0.2	0.7	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	0.44	0.13			umol/mmol creatinine	Adolescent (13-18 years old)	Both	Normal	HMDB	12622787
Human Urine	Detected and Quantified	0.86		0.179	1.541	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	16288991
Human Urine	Detected and Quantified	1.1	0.7			umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	1.31	0.76			umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Urine	Detected and Quantified	2.626		0.030	5.221	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	16288991
Human Urine	Detected and Quantified	0.5565	0.3993			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	0.5024	0.2337			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	0.10		0.066	0.16	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	0.102		0.0673	0.163	umol/mmol creatinine	Not Specified	Not Specified	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	>0.000650				uM	Adult (>18 years old)	Not Specified	Dopamine Beta-Hydroxylase Deficiency	HMDB	GeneReviews: Dopamine Beta-Hydroxylase Deficiency (https://www.ncbi.nlm.nih.gov/books/NBK1474/)
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal cortex	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal medulla	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bladder	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25729574
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000073

DrugBank ID

DB00988

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

681

PDB ID

Not Available

ChEBI ID

18243

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Showing metabocard for Dopamine (MMDBc0029467)

MOL for #<Metabolite:0x00007fdb0c66ca30>

3D MOL for #<Metabolite:0x00007fdb0c66ca30>

3D SDF for #<Metabolite:0x00007fdb0c66ca30>

3D-SDF for #<Metabolite:0x00007fdb0c66ca30>

PDB for #<Metabolite:0x00007fdb0c66ca30>

3D PDB for #<Metabolite:0x00007fdb0c66ca30>

SMILES for #<Metabolite:0x00007fdb0c66ca30>

INCHI for #<Metabolite:0x00007fdb0c66ca30>

Structure for #<Metabolite:0x00007fdb0c66ca30>

3D Structure for #<Metabolite:0x00007fdb0c66ca30>