MiMeDB: Showing metabocard for Taurine (MMDBc0000086)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:29:52 UTC

Update Date

2024-09-29 09:31:21 UTC

Metabolite ID

MMDBc0000086

Metabolite Identification

Common Name

Taurine

Description

Taurine is a sulfur amino acid like methionine, cystine, cysteine, and homocysteine. It is a lesser-known amino acid because it is not incorporated into the structural building blocks of protein. Yet taurine is an essential amino acid in pre-term and newborn infants of humans and many other species. Adults can synthesize their own taurine, yet are probably dependent, in part, on dietary taurine. Taurine is abundant in the brain, heart, breast, gallbladder, and kidney and has important roles in health and disease in these organs. Taurine has many diverse biological functions including serving as a neurotransmitter in the brain, a stabilizer of cell membranes, and a facilitator in the transport of ions such as sodium, potassium, calcium, and magnesium. Taurine is highly concentrated in animal and fish protein, which are good sources of dietary taurine. It can be synthesized by the body from cysteine when vitamin B6 is present. Deficiency of taurine occurs in premature infants, neonates fed formula milk, and various disease states. Several inborn errors of taurine metabolism have been described. Perry syndrome is an unusual neuropsychiatric disorder inherited in an autosomal dominant fashion through three generations of a family. Symptoms began late in the fifth decade in 6 affected persons and death occurred after 4 to 6 years. The earliest and most prominent symptom was mental depression that was not responsive to antidepressant drugs or electroconvulsive therapy. Sleep disturbances, exhaustion, and marked weight loss were features. Parkinsonism developed later, and respiratory failure occurred terminally (OMIM: 168605 ). Hypertaurinuric cardiomyopathy describes congestive cardiomyopathy and markedly elevated urinary taurine levels (about 5 times normal). Other family members had late or holosystolic mitral valve prolapse and elevated urinary taurine values (about 2.5 times normal). In two with mitral valve prolapse, congestive cardiomyopathy eventually developed while the amounts of urinary taurine doubled (OMIM: 145350 ). Taurine, after GABA, is the second most important inhibitory neurotransmitter in the brain. Its inhibitory effect is one source of taurine's anticonvulsant and antianxiety properties. It also lowers glutamic acid in the brain, and preliminary clinical trials suggest taurine may be useful in some forms of epilepsy. Taurine in the brain is usually associated with zinc or manganese. The amino acids alanine and glutamic acid, as well as pantothenic acid, inhibit taurine metabolism while vitamins A and B6, zinc, and manganese help build taurine. Cysteine and B6 are the nutrients most directly involved in taurine synthesis. Taurine levels have been found to decrease significantly in many depressed patients. One reason that the findings are not entirely clear is that taurine is often elevated in the blood of epileptics who need it. It is often difficult to distinguish compensatory changes in human biochemistry from true metabolic or deficiency disease. Low levels of taurine are found in retinitis pigmentosa. Taurine deficiency in experimental animals produces degeneration of light-sensitive cells. Therapeutic applications of taurine to eye disease are likely to be forthcoming. Taurine has many important metabolic roles. Supplements can stimulate prolactin and insulin release. The parathyroid gland makes a peptide hormone called glutataurine (glutamic acid-taurine), which further demonstrates taurine's role in endocrinology. Taurine increases bilirubin and cholesterol excretion in bile, critical to normal gallbladder function. It seems to inhibit the effect of morphine and potentiates the effects of opiate antagonists. Low plasma taurine levels have been found in a variety of conditions, i.e. depression, hypertension, hypothyroidism, gout, institutionalized patients, infertility, obesity, kidney failure, and others (http://www.dcnutrition.com/AminoAcids/). Moreover, taurine is found to be associated with maple syrup urine disease, which is an inborn error of metabolism.

Structure

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

Synonyms

Value	Source
2-Aminoethanesulfonic acid	ChEBI
2-Aminoethyl sulfonate	ChEBI
Aminoethylsulfonic acid	ChEBI
beta-Aminoethylsulfonic acid	ChEBI
2-Aminoethanesulfonate	Generator
2-Aminoethanesulphonate	Generator
2-Aminoethanesulphonic acid	Generator
2-Aminoethyl sulfonic acid	Generator
2-Aminoethyl sulphonate	Generator
2-Aminoethyl sulphonic acid	Generator
Aminoethylsulfonate	Generator
Aminoethylsulphonate	Generator
Aminoethylsulphonic acid	Generator
b-Aminoethylsulfonate	Generator
b-Aminoethylsulfonic acid	Generator
b-Aminoethylsulphonate	Generator
b-Aminoethylsulphonic acid	Generator
beta-Aminoethylsulfonate	Generator
beta-Aminoethylsulphonate	Generator
beta-Aminoethylsulphonic acid	Generator
Β-aminoethylsulfonate	Generator
Β-aminoethylsulfonic acid	Generator
Β-aminoethylsulphonate	Generator
Β-aminoethylsulphonic acid	Generator
1-Aminoethane-2-sulfonate	HMDB
1-Aminoethane-2-sulfonic acid	HMDB
2-Aminoethylsulfonate	HMDB
2-Aminoethylsulfonic acid	HMDB
2-Sulfoethylamine	HMDB
Taurine hydrochloride	HMDB
Taurine zinc salt (2:1)	HMDB
Taurine, monopotassium salt	HMDB
Taufon	HMDB
Tauphon	HMDB

Molecular Formula

C₂H₇NO₃S

Average Mass

125.147

Monoisotopic Mass

125.014663785

IUPAC Name

2-aminoethane-1-sulfonic acid

Traditional Name

taurine

CAS Registry Number

107-35-7

SMILES

NCCS(O)(=O)=O

InChI Identifier

InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

InChI Key

XOAAWQZATWQOTB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Sub Class

Organosulfonic acids and derivatives

Direct Parent

Organosulfonic acids

Alternative Parents

Substituents

Alkanesulfonic acid
Sulfonyl
Organosulfonic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organosulfur compound
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

amino sulfonic acid (CHEBI:15891 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	105 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-2.6	ChemAxon
logS	-0.08	ALOGPS
pKa (Strongest Acidic)	-1.5	ChemAxon
pKa (Strongest Basic)	9.34	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	80.39 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	24.61 m³·mol⁻¹	ChemAxon
Polarizability	10.82 Å³	ChemAxon
Number of Rings	0	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) (3 TMS)	splash10-0032-1901000000-5373a9d32fa1f29b8012	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0032-0901000000-f7cf5a7ef7741fe71454	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-9802000000-c315203efd199b1871e7	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0032-1901000000-5373a9d32fa1f29b8012	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0032-0901000000-f7cf5a7ef7741fe71454	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9802000000-c315203efd199b1871e7	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f9t-0902000000-41e2bea3bce85bb00386	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f9t-0902000000-41e2bea3bce85bb00386	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000x-9000000000-fc8f496bf8d00c37dd84	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-006t-0890202100-ef2de9b47cafa707f789	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-004i-9300000000-530438ccab9f22503af5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-00di-0900000000-ad642e440d924dfd8e20	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-006t-0097000000-24cfd722ea30b6a3b22d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-006t-0790202100-45d57f0101d4cefbc981	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-004i-9300000000-bd1f04d82f9e675f2303	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-00di-0900000000-d411fff703670832e445	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-006t-0098000000-c86b66ff71cff513520f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-00di-0900000000-31f44189a2671cf5d2e9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-00e9-6900000000-cc7fe1badfe13959526d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-001i-9000000000-ae6465f92e91cfad7276	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-001i-9000000000-af0ea33a51fe79abee00	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-001i-9000000000-27d6c7ae55f73bb21b3c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00di-0900000000-31f44189a2671cf5d2e9	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-00e9-6900000000-cc7fe1badfe13959526d	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-9000000000-ae6465f92e91cfad7276	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-9000000000-af0ea33a51fe79abee00	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-9000000000-27d6c7ae55f73bb21b3c	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-004i-9300000000-530438ccab9f22503af5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-00di-0900000000-ad642e440d924dfd8e20	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-006t-0097000000-e6d9cd15ddc56b10a1c6	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-004i-9300000000-bd1f04d82f9e675f2303	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-00di-0900000000-d411fff703670832e445	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-006t-0098000000-c86b66ff71cff513520f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-00di-4900000000-9793e5415fbc98c19205	2017-09-14	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0036-9000000000-a96a1a8b53b1b556f6ca	2014-09-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 90 MHz, DMSO-d6, experimental)		2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Peroxisome

Biospecimen Locations

Bile
Blood
Brain
Breast Milk
Cerebrospinal Fluid (CSF)
Epidermis
Erythrocyte
Feces
Fibroblasts
Intestine
Kidney
Leukocyte
Liver
Neuron
Pancreas
Placenta
Platelet
Prostate
Retina
Saliva
Skeletal Muscle
Urine

Tissue Locations

Brain
Epidermis
Erythrocyte
Fibroblasts
Intestine
Kidney
Leukocyte
Liver
Neuron
Pancreas
Placenta
Platelet
Prostate
Retina
Skeletal Muscle

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192196	Bile acid-CoA:amino acid N-acyltransferase	Enzyme	Q14032	Homo sapiens
MMDBp0192341	Glutamate decarboxylase 2	Enzyme	Q05329	Homo sapiens
MMDBp0192342	Glutamate decarboxylase 1	Enzyme	Q99259	Homo sapiens
MMDBp0192366	Gamma-glutamyltranspeptidase 1	Enzyme	P19440	Homo sapiens
MMDBp0192367	Gamma-glutamyltransferase 7	Enzyme	Q9UJ14	Homo sapiens
MMDBp0192554	Cysteine sulfinic acid decarboxylase	Enzyme	Q9Y600	Homo sapiens
MMDBp0193713	Sodium- and chloride-dependent taurine transporter	Unknown	P31641	Homo sapiens
MMDBp0194151	Gamma-glutamyltransferase 6	Enzyme	Q6P531	Homo sapiens
MMDBp0194987	Glycine receptor subunit alpha-1	Unknown	P23415	Homo sapiens
MMDBp0196021	GGT7 protein	Enzyme	A0PJJ9	Homo sapiens
MMDBp0196022	Gamma-glutamyltransferase 5	Enzyme	P36269	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000367	Choloyl-CoA	Taurocholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	30371894
MMDBr0001491	Hypotaurine	Taurine	Not Available	VMH	15189131
MMDBr0001548	Cysteic acid	Taurine	Not Available	VMH; KEGG	30371894
MMDBr0002195	Taurine	Taurine	solute carrier family 6 (neurotransmitter transporter), member 6	VMH	8010975
MMDBr0002526	Hypotaurine	Taurine	Not Available	VMH	13979247 16680556 7295801
MMDBr0002632	Choloyl-CoA	Taurocholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	10884298 12239217 12543708 15026425 3741411 6884990
MMDBr0004104	Chenodeoxycholoyl-CoA	Taurochenodesoxycholic acid	bile acid CoA:amino acid N-acyltransferase	VMH; KEGG	30371894
MMDBr0004105	Chenodeoxycholoyl-CoA	Taurochenodesoxycholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	11980911
MMDBr0004106	Deoxycholoyl Coenzyme A	Taurodeoxycholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	10884298 11980911
MMDBr0004107	Deoxycholoyl Coenzyme A	Taurodeoxycholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	10884298 11980911
MMDBr0004325	Lithocholic acid	Lithocholyltaurine	bile acid CoA:amino acid N-acyltransferase	VMH	11980911
MMDBr0004326	Lithocholic acid	Lithocholyltaurine	bile acid CoA:amino acid N-acyltransferase	VMH	11980911
MMDBr0005489	Hypotaurine	Taurine	Not Available	VMH	30371894
MMDBr0006117	Taurine	Tauroursodeoxycholic acid	bile acid CoA:amino acid N-acyltransferase	VMH	30371894
MMDBr0008177	Oxoglutaric acid	Aminoacetaldehyde	Not Available	VMH	30371894
MMDBr0008178	Reduced FMN	Aminoacetaldehyde	Not Available	VMH	30371894
MMDBr0008479	Taurine	L-Alanine	Not Available	VMH	30371894
MMDBr0012624	Taurochenodesoxycholic acid	Chenodeoxycholic acid	Not Available	VMH	30371894
MMDBr0012625	Taurocholic acid	Cholic acid	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Epilepsy	Slight Decrease	Association	Human Cerebrospinal Fluid (CSF)	HMDB	14992292
Heart failure	Increased	Association	Human Blood	HMDB	16789974
Leukemia		Association	Human Cerebrospinal Fluid (CSF)	HMDB	15911239
Lung cancer	Slight Increase	Association	Human Urine	HMDB	22157537
Maple syrup urine disease	Increased	Association	Human Urine	HMDB	19551947
Parkinson's disease	Slight Decrease	Association	Human Cerebrospinal Fluid (CSF)	HMDB	12834252
Propionic acidemia	Increased	Association	Human Urine	HMDB	19551947
Schizophrenia	Slight Decrease	Association	Human Cerebrospinal Fluid (CSF)	HMDB	7595563
Schizophrenia		Association	Human Blood	HMDB	2415198
Eosinophilic esophagitis	Slight Decrease	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
Archaea	Euryarchaeota	9	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Firmicutes	457	Human stool; Human ; Human feces; Human urine; Human sputum; Human pleural fluid plaque; Pig ; Human subgingival plaque; Human saliva; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	305	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human stool; Human feces; pleural fluid plaque; bal	Metabolic reconstruction
Bacteria	Actinobacteria	144	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human stool; Human saliva	Metabolic reconstruction
Bacteria	Bacteroidetes	67	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva	Metabolic reconstruction
Bacteria	Spirochaetes	2	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	15	Human feces; Human	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	1	Human feces; Human	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Chondrus crispus	FooDB	DUKE
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	20338431
Animal	Milk	Bos taurus	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	NRC. 1989. Recommended Dietary Allowances. 10th ed. Natl. Acad. Press, Washington, DC.
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Solanum tuberosum	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant		Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant	Bulb	Allium sativum l. var. sativum	FooDB	DUKE
Plant		Spinacia oleracea	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant	Root	Daucus carota ssp. sativus	FooDB	David M. Alabran, and Ahmed F. Mabrouk. Carrot flavor. Sugars and free nitrogenous compounds in fresh carrots. J. Agric. Food Chem., 1973, 21 (2), pp 205-208 DOI: 10.1021/jf60186a020
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant	Fruit	Lentinus edodes	FooDB	DUKE
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant	Plant	Petroselinum crispum	FooDB	DUKE
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
General Exposome	Not Available	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
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	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 Urine	Detected and Quantified			0.0027	0.075	umol/mmol creatinine	Adult (>18 years old)	Both	ADPKD	HMDB	21389975
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.80		5.30	6.30	uM	Adult (>18 years old)	Both	Epilepsy	HMDB	14992292
Human Blood	Detected and Quantified	117.0	7.0			uM	Adult (>18 years old)	Both	Heart failure	HMDB	16789974
Human Cerebrospinal fluid (csf)	Detected and Quantified	10.4	11.1			uM	Children (1-13 years old)	Not Specified	Leukemia	HMDB	15911239
Human Cerebrospinal fluid (csf)	Detected and Quantified	8.0	4.3			uM	Children (1-13 years old)	Not Specified	Leukemia	HMDB	15911239
Human Urine	Detected and Quantified	67	50			umol/mmol creatinine	Adult (>18 years old)	Both	Lung cancer	HMDB	22157537
Human Urine	Detected and Quantified	98.3	7.1			umol/mmol creatinine	Adult (>18 years old)	Both	Maple syrup urine disease	HMDB	19551947
Human Urine	Detected and Quantified	466				umol/mmol creatinine	Children (1-13 years old)	Not Specified	Molybdenum cofactor deficiency	HMDB	8051926
Human Urine	Detected and Quantified	1261				umol/mmol creatinine	Newborn (0-30 days old)	Not Specified	Molybdenum cofactor deficiency	HMDB	8051926
Human Cerebrospinal fluid (csf)	Detected and Quantified	6.49		4.60	8.38	uM	Adult (>18 years old)	Both	Parkinson's Disease	HMDB	12834252
Human Urine	Detected and Quantified	72.9	10.7			umol/mmol creatinine	Adult (>18 years old)	Both	Propionic acidemia	HMDB	19551947
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.0	0.86			uM	Adult (>18 years old)	Both	Schizophrenia	HMDB	7595563
Human Blood	Detected and Quantified	67	20			uM	Adult (>18 years old)	Male	Schizophrenia	HMDB	2415198
Human Blood	Detected and Quantified	68	14			uM	Adult (>18 years old)	Female	Schizophrenia	HMDB	2415198
Human Urine	Detected and Quantified	280000000				umol/mmol creatinine	Children (1-13 years old)	Female	Sulfite oxidase deficiency	HMDB	23452914
Human Urine	Detected and Quantified	54.7				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	19309105
Human Bile	Detected and Quantified	>10				uM	Adult (>18 years old)	Both	Normal	HMDB	15780050
Human Saliva	Detected and Quantified			1	418	uM	Adult (>18 years old)	Male	normal	HMDB	19259987
Human Saliva	Detected and Quantified			1	56	uM	Adult (>18 years old)	Male	normal	HMDB	19259987
Human Urine	Detected and Quantified	1.6	1.6			umol/mmol creatinine	Infant (1 - 6 months old)	Both	Normal	HMDB	3168222
Human Feces	Detected and Quantified	10	10			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	27624970
Human Urine	Detected and Quantified	1042	591.5			umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	1114	761.3			umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Cerebrospinal fluid (csf)	Detected and Quantified	13.4	2.7			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	15911239
Human Feces	Detected and Quantified	140	290			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	27624970
Human Blood	Detected and Quantified	140	40			uM	Adult (>18 years old)	Female	Normal	HMDB	20416131
Human Blood	Detected and Quantified	152.1		113.7	179.8	uM	Children (1-13 uears old)	Both	Normal	HMDB	27294788
Human Breast milk	Detected and Quantified	190	66.6			uM	Adult (>18 years old)	Female	Normal	HMDB	24027187
Human Urine	Detected and Quantified	2.5	3.2			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	3168222
Human Saliva	Detected and Quantified	25		<1	69	uM	Adult (>18 years old)	Female	Normal	HMDB	19259987
Human Urine	Detected and Quantified			250	910	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Urine	Detected and Quantified	3.2	3.1			umol/mmol creatinine	Infant (6 months - <1 year old)	Both	Normal	HMDB	3168222
Human Urine	Detected and Quantified	350.49	192.20			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Urine	Detected and Quantified	36.07	29.16			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Blood	Detected and Quantified	42	12			uM	Adult (>18 years old)	Female	Normal	HMDB	2415198
Human Blood	Detected and Quantified	42.0	12.0			uM	Adult (>18 years old)	Female	Normal	HMDB	6198473
Human Saliva	Detected and Quantified	45		<1	184	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Urine	Detected and Quantified	463.55	214.81			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.3	2.2			uM	Not Specified	Not Specified	Normal	HMDB	20803002
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.5	1.5			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	6198473
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.87	0.63			uM	Adult (>18 years old)	Both	Normal	HMDB	7595563
Human Saliva	Detected and Quantified	52		10	268	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Urine	Detected and Quantified	520.08	293.96			umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	19468821
Human Blood	Detected and Quantified	55.0		42.0	69.0	uM	Adult (>18 years old)	Both	Normal	HMDB	12297216
Human Blood	Detected and Quantified	61	17			uM	Adult (>18 years old)	Male	Normal	HMDB	2415198
Human Blood	Detected and Quantified	61.0	17.0			uM	Adult (>18 years old)	Male	Normal	HMDB	6198473
Human Saliva	Detected and Quantified	66		1	171	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Urine	Detected and Quantified			74.64	2841	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Cerebrospinal fluid (csf)	Detected and Quantified	8.24		5.48	11.0	uM	Adult (>18 years old)	Both	Normal	HMDB	12834252
Human Cerebrospinal fluid (csf)	Detected and Quantified	8.4	2.0			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	6198473
Human Urine	Detected and Quantified	81		13	251	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Blood	Detected and Quantified	91.0	3.0			uM	Adult (>18 years old)	Both	Normal	HMDB	16789974
Human Blood	Detected and Quantified	93.0	35.7			uM	Adult (>18 years old)	Both	Normal	HMDB	28278231
Human Urine	Detected and Quantified	58.393	30.929			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 Blood	Detected and Quantified	188				uM	Infant (0-1 year old)	Male	Sulfite oxidase deficiency	HMDB	Clinical and Laboratory Barriers to the Timely Diagnosis of Sulphite Oxidase Deficiency. Proceedings of Singapore Healthcare, 19(2), 94-100.
Human Urine	Detected and Quantified	90.239	61.212			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 Cerebrospinal fluid (csf)	Detected and Quantified			0	14	uM	Adolescent (>11 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Cerebrospinal fluid (csf)	Detected and Quantified			0	16	uM	Children (0 - 10 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			0	240	uM	Children (6 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			10	97	uM	Children (3 months - 6 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			13.57	205.77	umol/mmol creatinine	Children (1 - 2 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			14.81	259.47	umol/mmol creatinine	Children (2 - 4 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			18.65	233.13	umol/mmol creatinine	Adolescent (13 - 21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			18.65	233.13	umol/mmol creatinine	Adult (>21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			19	190	uM	Infant (1 - 3 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			19	265	uM	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			20.01	298.59	umol/mmol creatinine	Children (4 - 13 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			5.65	124.48	umol/mmol creatinine	Infant (1 - 6 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			8.37	293.50	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			9.72	158.62	umol/mmol creatinine	Infant (6 months - <1 year old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			0	360	uM	Infant (0-1 year old)	Both	Normal	HMDB	Clinical and Laboratory Barriers to the Timely Diagnosis of Sulphite Oxidase Deficiency. Proceedings of Singapore Healthcare, 19(2), 94-100.
Human Urine	Detected and Quantified			4.00	159.98	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971
Human Blood	Detected and Quantified	104.0	62.0			uM	Children (1-13 years old)	Male	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	141.0	57.0			uM	Adult (>18 years old)	Female	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	162.0	60.0			uM	Adult (>18 years old)	Male	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 Cerebrospinal fluid (csf)	Detected and Quantified	6.6	1.7			uM	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	60.45		17.78	103.11	umol/mmol creatinine	Newborn (0-30 days 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	57.42				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Shaykhutdinov RA, MacInnis GD, Dowlatabadi R, Weljie AM, Vogel HJ. Quantitative analysis of metabolite concentrations in human urine samples using 13C{1H} NMR spectroscopy. Metabolomics. 2009
Human Saliva	Detected and Quantified	40.1	24.5			uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	57.8	24.3			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	105.56	56.53			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Blood	Detected and Quantified			70.00	170.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Molecular You (https://molecularyou.com)
Human Urine	Detected and Quantified			2.71	173.18	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			4.18	938.73	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			5.66	232.0048	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			6.45	252.82	umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			7.24	368.20	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			8.60	398.062	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
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 Erythrocyte	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 Intestine	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 Leukocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	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 Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Retina	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 Saliva	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	20300169
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	12097436
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21761941
Human Feces	Detected but not Quantified						Not Specified	Both	Normal	HMDB	25486321
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	22800120
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21761941
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Both	Normal	HMDB	27609529
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Not Specified	Normal	HMDB	27609529
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	28270806
Human Urine	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	17022649
Human Urine	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	17022649
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25733631
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
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

HMDB0000251

DrugBank ID

DB01956

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

1123

PDB ID

Not Available

ChEBI ID

15891

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Vinton NE, Laidlaw SA, Ament ME, Kopple JD: Taurine concentrations in plasma, blood cells, and urine of children undergoing long-term total parenteral nutrition. Pediatr Res. 1987 Apr;21(4):399-403. doi: 10.1203/00006450-198704000-00016. [PubMed:3106924 ]
Gonzalez-Quevedo A, Obregon F, Fernandez R, Santiesteban R, Serrano C, Lima L: Amino acid levels and ratios in serum and cerebrospinal fluid of patients with optic neuropathy in Cuba. Nutr Neurosci. 2001;4(1):51-62. doi: 10.1080/1028415x.2001.11747350. [PubMed:11842876 ]
Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. doi: 10.1016/j.ejca.2005.02.013. Epub 2005 Apr 14. [PubMed:15911239 ]
Schneider SM, Joly F, Gehrardt MF, Badran AM, Myara A, Thuillier F, Coudray-Lucas C, Cynober L, Trivin F, Messing B: Taurine status and response to intravenous taurine supplementation in adults with short-bowel syndrome undergoing long-term parenteral nutrition: a pilot study. Br J Nutr. 2006 Aug;96(2):365-70. doi: 10.1079/bjn20061826. [PubMed:16923232 ]
McCarty MF: Complementary vascular-protective actions of magnesium and taurine: a rationale for magnesium taurate. Med Hypotheses. 1996 Feb;46(2):89-100. doi: 10.1016/s0306-9877(96)90007-9. [PubMed:8692051 ]
Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. doi: 10.1016/s0899-9007(02)00780-3. [PubMed:12297216 ]
Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. doi: 10.1023/b:nere.0000010461.34920.0c. [PubMed:14992292 ]
Kopple JD, Vinton NE, Laidlaw SA, Ament ME: Effect of intravenous taurine supplementation on plasma, blood cell, and urine taurine concentrations in adults undergoing long-term parenteral nutrition. Am J Clin Nutr. 1990 Nov;52(5):846-53. doi: 10.1093/ajcn/52.5.846. [PubMed:2122710 ]
McMahon GP, O'Kennedy R, Kelly MT: High-performance liquid chromatographic determination of taurine in human plasma using pre-column extraction and derivatization. J Pharm Biomed Anal. 1996 Jun;14(8-10):1287-94. doi: 10.1016/0731-7085(95)01697-x. [PubMed:8818047 ]
Stover JF, Morganti-Kosmann MC, Lenzlinger PM, Stocker R, Kempski OS, Kossmann T: Glutamate and taurine are increased in ventricular cerebrospinal fluid of severely brain-injured patients. J Neurotrauma. 1999 Feb;16(2):135-42. doi: 10.1089/neu.1999.16.135. [PubMed:10098958 ]
Learn DB, Fried VA, Thomas EL: Taurine and hypotaurine content of human leukocytes. J Leukoc Biol. 1990 Aug;48(2):174-82. [PubMed:2370482 ]
Miglis M, Wilder D, Reid T, Bakaltcheva I: Effect of taurine on platelets and the plasma coagulation system. Platelets. 2002 Feb;13(1):5-10. doi: 10.1080/09537100120112558. [PubMed:11918831 ]
Axelson M, Ellis E, Mork B, Garmark K, Abrahamsson A, Bjorkhem I, Ericzon BG, Einarsson C: Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid. Hepatology. 2000 Jun;31(6):1305-12. doi: 10.1053/jhep.2000.7877. [PubMed:10827156 ]
Hu S, Zhao X, Yin S, Meng J: [A study on the mechanism of taurine postponing the aging process of human fetal brain neural cells]. Wei Sheng Yan Jiu. 1997 Mar;26(2):98-101. [PubMed:10325611 ]
Goodman HO, Shihabi Z, Oles KS: Antiepileptic drugs and plasma and platelet taurine in epilepsy. Epilepsia. 1989 Mar-Apr;30(2):201-7. doi: 10.1111/j.1528-1157.1989.tb05455.x. [PubMed:2494044 ]
Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. doi: 10.1023/a:1024255208563. [PubMed:12834252 ]
Sturman JA, Messing JM, Rossi SS, Hofmann AF, Neuringer MD: Tissue taurine content and conjugated bile acid composition of rhesus monkey infants fed a human infant soy-protein formula with or without taurine supplementation for 3 months. Neurochem Res. 1988 Apr;13(4):311-6. doi: 10.1007/BF00972479. [PubMed:3393260 ]
Khan SA, Cox IJ, Hamilton G, Thomas HC, Taylor-Robinson SD: In vivo and in vitro nuclear magnetic resonance spectroscopy as a tool for investigating hepatobiliary disease: a review of H and P MRS applications. Liver Int. 2005 Apr;25(2):273-81. doi: 10.1111/j.1478-3231.2005.01090.x. [PubMed:15780050 ]
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Showing metabocard for Taurine (MMDBc0000086)

MOL for #<Metabolite:0x00007fdaecf3cdb0>

3D MOL for #<Metabolite:0x00007fdaecf3cdb0>

3D SDF for #<Metabolite:0x00007fdaecf3cdb0>

3D-SDF for #<Metabolite:0x00007fdaecf3cdb0>

PDB for #<Metabolite:0x00007fdaecf3cdb0>

3D PDB for #<Metabolite:0x00007fdaecf3cdb0>

SMILES for #<Metabolite:0x00007fdaecf3cdb0>

INCHI for #<Metabolite:0x00007fdaecf3cdb0>

Structure for #<Metabolite:0x00007fdaecf3cdb0>

3D Structure for #<Metabolite:0x00007fdaecf3cdb0>