This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Taurine
Accession Number
DB01956  (EXPT03010, DB11103)
Type
Small Molecule
Groups
Approved
Description

A conditionally essential nutrient, important during mammalian development. It is present in milk but is isolated mostly from ox bile and strongly conjugates bile acids.

Structure
Thumb
Synonyms
  • Aminoethylsulfonic acid
  • Taurineold
External IDs
FEMA NO. 3813
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Aminosyn-PFTaurine (50 mg/100mL) + Glutamic Acid (576 mg/100mL) + Glycine (270 mg/100mL) + Histidine (220 mg/100mL) + L-Alanine (490 mg/100mL) + L-Arginine (861 mg/100mL) + L-Aspartic Acid (370 mg/100mL) + L-Isoleucine (534 mg/100mL) + L-Leucine (831 mg/100mL) + L-Lysine (475 mg/100mL) + L-Methionine (125 mg/100mL) + L-Phenylalanine (300 mg/100mL) + L-Proline (570 mg/100mL) + L-Threonine (360 mg/100mL) + L-Tryptophan (125 mg/100mL) + L-Tyrosine (44 mg/100mL) + L-Valine (452 mg/100mL) + Serine (347 mg/100mL)Injection, solutionIntravenousHospira, Inc.1985-09-06Not applicableUs
Aminosyn-PFTaurine (70 mg/100mL) + Glutamic Acid (820 mg/100mL) + Glycine (385 mg/100mL) + Histidine (312 mg/100mL) + L-Alanine (698 mg/100mL) + L-Arginine (1227 mg/100mL) + L-Aspartic Acid (527 mg/100mL) + L-Isoleucine (760 mg/100mL) + L-Leucine (1200 mg/100mL) + L-Lysine (677 mg/100mL) + L-Methionine (180 mg/100mL) + L-Phenylalanine (427 mg/100mL) + L-Proline (812 mg/100mL) + L-Threonine (512 mg/100mL) + L-Tryptophan (180 mg/100mL) + L-Tyrosine (44 mg/100mL) + L-Valine (673 mg/100mL) + Serine (495 mg/100mL)Injection, solutionIntravenousHospira, Inc.1986-10-17Not applicableUs
Aminosyn-PF 10%Taurine (70 mg) + Glutamic Acid (820 mg) + Glycine (385 mg) + Histidine (312 mg) + L-Alanine (698 mg) + L-Arginine (1.227 g) + L-Aspartic Acid (527 mg) + L-Isoleucine (760 mg) + L-Leucine (1.2 g) + L-Lysine (677 mg) + L-Methionine (180 mg) + L-Phenylalanine (427 mg) + L-Proline (812 mg) + L-Threonine (512 mg) + L-Tryptophan (180 mg) + L-Tyrosine (44 mg) + L-Valine (673 mg) + Serine (495 mg)SolutionIntravenousHospira, Inc.1990-12-312016-07-29Canada
Aminosyn-PF 7%Taurine (50 mg) + Glutamic Acid (576 mg) + Glycine (270 mg) + Histidine (220 mg) + L-Alanine (490 mg) + L-Arginine (861 mg) + L-Aspartic Acid (370 mg) + L-Isoleucine (534 mg) + L-Leucine (831 mg) + L-Lysine (475 mg) + L-Methionine (125 mg) + L-Phenylalanine (300 mg) + L-Proline (570 mg) + L-Threonine (360 mg) + L-Tryptophan (125 mg) + L-Tyrosine (44 mg) + L-Valine (452 mg) + Serine (347 mg)SolutionIntravenousHospira, Inc.1990-12-312016-07-29Canada
Premasol - sulfite-free (Amino Acid)Taurine (15 mg/100mL) + Glutamic Acid (.3 g/100mL) + Glycine (.22 g/100mL) + Histidine (.29 g/100mL) + L-Alanine (.32 g/100mL) + L-Arginine (.73 g/100mL) + L-Aspartic Acid (.19 g/100mL) + L-Cysteine (.014 g/100mL) + L-Isoleucine (.49 g/100mL) + L-Leucine (.84 g/100mL) + L-Lysine (.49 g/100mL) + L-Methionine (.2 g/100mL) + L-Phenylalanine (.29 g/100mL) + L-Proline (.41 g/100mL) + L-Threonine (.25 g/100mL) + L-Tryptophan (.12 g/100mL) + L-Tyrosine (.14 g/100mL) + L-Valine (.47 g/100mL) + Serine (.23 g/100mL)Injection, solutionIntravenousBaxter Laboratories2003-06-19Not applicableUs
Premasol - sulfite-free (Amino Acid)Taurine (25 mg/100mL) + Glutamic Acid (.5 g/100mL) + Glycine (.36 g/100mL) + Histidine (.48 g/100mL) + L-Alanine (.54 g/100mL) + L-Arginine (1.2 g/100mL) + L-Aspartic Acid (.32 g/100mL) + L-Cysteine (.016 g/100mL) + L-Isoleucine (.82 g/100mL) + L-Leucine (1.4 g/100mL) + L-Lysine (.82 g/100mL) + L-Methionine (.34 g/100mL) + L-Phenylalanine (.48 g/100mL) + L-Proline (.68 g/100mL) + L-Threonine (.42 g/100mL) + L-Tryptophan (.2 g/100mL) + L-Tyrosine (.24 g/100mL) + L-Valine (.78 g/100mL) + Serine (.38 g/100mL)Injection, solutionIntravenousBaxter Laboratories2003-06-19Not applicableUs
Primene 10%Taurine (60 mg) + Glutamic Acid (1 g) + Glycine (400 mg) + Histidine (380 mg) + L-Alanine (800 mg) + L-Arginine (840 mg) + L-Aspartic Acid (600 mg) + L-Cysteine (189 mg) + L-Isoleucine (670 mg) + L-Leucine (1 g) + L-Lysine (1.1 g) + L-Methionine (240 mg) + L-Phenylalanine (420 mg) + L-Proline (300 mg) + L-Threonine (370 mg) + L-Tryptophan (200 mg) + L-Tyrosine (45 mg) + L-Valine (760 mg) + Ornithine dihydrochloride (318 mg) + Serine (400 mg)LiquidIntravenousBaxter Laboratories1997-11-14Not applicableCanada
Primene 10%-liq IVTaurine (60 mg) + Glutamic Acid (1 g) + Glycine (400 mg) + Histidine (380 mg) + L-Alanine (800 mg) + L-Arginine (840 mg) + L-Aspartic Acid (600 mg) + L-Cysteine hydrochloride (246 mg) + L-Isoleucine (670 mg) + L-Leucine (1 g) + L-Lysine (1.1 g) + L-Methionine (240 mg) + L-Phenylalanine (420 mg) + L-Proline (300 mg) + L-Threonine (370 mg) + L-Tryptophan (200 mg) + L-Tyrosine (45 mg) + L-Valine (760 mg) + Ornithine (249 mg) + Serine (400 mg)LiquidIntravenousClintec Nutrition Company1995-12-311998-08-13Canada
TozalTaurine (400 mg/31) + Cholecalciferol (1000 [iU]/31) + Copper (1.6 mg/31) + Cyanocobalamin (100 ug/31) + Folic Acid (1 mg/31) + Lutein (15 mg/31) + Omega-3 fatty acids (600 mg/31) + Pyridoxine hydrochloride (20 mg/31) + Vitamin A palmitate (10000 [iU]/31) + Vitamin C (452 mg/31) + Vitamin E (200 [iU]/31) + Zeaxanthin (3 mg/31) + Zinc picolinate (40 mg/31)Capsule, gelatin coatedOralFocus Laboratories, Inc.2013-06-012016-10-13Us
TrophAmineTaurine (.015 g/100mL) + Glutamic Acid (.3 g/100mL) + Glycine (.22 g/100mL) + Histidine (.29 g/100mL) + L-Alanine (.32 g/100mL) + L-Arginine (.73 g/100mL) + L-Aspartic Acid (.19 g/100mL) + L-Cysteine (.02 g/100mL) + L-Isoleucine (.49 g/100mL) + L-Leucine (.84 g/100mL) + L-Lysine (.69 g/100mL) + L-Methionine (.2 g/100mL) + L-Phenylalanine (.29 g/100mL) + L-Proline (.41 g/100mL) + L-Threonine (.25 g/100mL) + L-Tryptophan (.12 g/100mL) + L-Tyrosine (.044 g/100mL) + L-Valine (.47 g/100mL) + N-acetyltyrosine (.12 g/100mL) + Serine (.23 g/100mL)SolutionIntravenousB. Braun Medical Inc.1984-07-20Not applicableUs
Categories
Not Available
UNII
1EQV5MLY3D
CAS number
107-35-7
Weight
Average: 125.147
Monoisotopic: 125.014663785
Chemical Formula
C2H7NO3S
InChI Key
XOAAWQZATWQOTB-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
IUPAC Name
2-aminoethane-1-sulfonic acid
SMILES
NCCS(O)(=O)=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UAlpha-ketoglutarate-dependent taurine dioxygenaseNot AvailableEscherichia coli (strain K12)
UCholoylglycine hydrolaseNot AvailableClostridium perfringens (strain 13 / Type A)
UGlycine receptor subunit alpha-1
agonist
Human
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
PathwayCategory
Cerebrotendinous Xanthomatosis (CTX)Disease
27-Hydroxylase DeficiencyDisease
Bile Acid BiosynthesisMetabolic
Familial Hypercholanemia (FHCA)Disease
Taurine and Hypotaurine MetabolismMetabolic
Congenital Bile Acid Synthesis Defect Type IIDisease
Zellweger SyndromeDisease
Congenital Bile Acid Synthesis Defect Type IIIDisease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB00251
KEGG Drug
D00047
KEGG Compound
C00245
PubChem Compound
1123
PubChem Substance
46506189
ChemSpider
1091
BindingDB
50357220
ChEBI
507393
ChEMBL
CHEMBL239243
PharmGKB
PA451590
IUPHAR
2379
Guide to Pharmacology
GtP Drug Page
HET
TAU
PDB Entries
1gqw / 1gy9 / 1os7 / 1otj / 2bjf / 2bz1 / 3uyw / 3v39 / 4fcf / 4foq
show 2 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentBipolar Disorder (BD)1
1, 2Active Not RecruitingTreatmentHomocystinuria1
1, 2Unknown StatusTreatmentBecause the Body Does Not Produce Enough Insulin / Is Produced / It is a Group of Metabolic Diseases in / Or Because Cells do Not Respond to the Insulin That / Which a Person Has High Blood Sugar, Either1
2CompletedTreatmentBipolar Disorder (BD) / Depression, Bipolar / Mania1
2, 3CompletedTreatmentPsychotic Disorder NOS1
3CompletedPreventionPrehypertension1
3CompletedTreatmentInfant, Low Birth Weight / Infant, Small for Gestational Age / Infants, Premature / Newborn Infants / Sepsis1
4CompletedDiagnosticHand Skill, Relative1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
SolutionIntravenous
Injection, solutionIntravenous
LiquidIntravenous
Capsule, gelatin coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)328 °CPhysProp
water solubility8.07E+004 mg/L (at 20 °C)YALKOWSKY,SH & DANNENFELSER,RM (1992)
Predicted Properties
PropertyValueSource
Water Solubility105.0 mg/mLALOGPS
logP-2.2ALOGPS
logP-2.6ChemAxon
logS-0.08ALOGPS
pKa (Strongest Acidic)-1.5ChemAxon
pKa (Strongest Basic)9.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.39 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity24.61 m3·mol-1ChemAxon
Polarizability10.82 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.6511
Blood Brain Barrier+0.7419
Caco-2 permeable-0.6272
P-glycoprotein substrateNon-substrate0.8245
P-glycoprotein inhibitor INon-inhibitor0.878
P-glycoprotein inhibitor IINon-inhibitor0.9704
Renal organic cation transporterNon-inhibitor0.8833
CYP450 2C9 substrateNon-substrate0.8835
CYP450 2D6 substrateNon-substrate0.8043
CYP450 3A4 substrateNon-substrate0.7015
CYP450 1A2 substrateNon-inhibitor0.9165
CYP450 2C9 inhibitorNon-inhibitor0.9217
CYP450 2D6 inhibitorNon-inhibitor0.9331
CYP450 2C19 inhibitorNon-inhibitor0.9215
CYP450 3A4 inhibitorNon-inhibitor0.9763
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9712
Ames testNon AMES toxic0.9133
CarcinogenicityCarcinogens 0.6212
BiodegradationReady biodegradable0.7666
Rat acute toxicity1.4296 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Strong inhibitor0.5873
hERG inhibition (predictor II)Non-inhibitor0.8162
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)GC-MSsplash10-0032-1901000000-5373a9d32fa1f29b8012
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-0032-0901000000-f7cf5a7ef7741fe71454
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)GC-MSsplash10-00di-9802000000-c315203efd199b1871e7
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0032-1901000000-5373a9d32fa1f29b8012
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0032-0901000000-f7cf5a7ef7741fe71454
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-9802000000-c315203efd199b1871e7
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0f9t-0902000000-41e2bea3bce85bb00386
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0f9t-0902000000-41e2bea3bce85bb00386
Mass Spectrum (Electron Ionization)MSsplash10-0036-9000000000-a96a1a8b53b1b556f6ca
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-004i-0900000000-57e6677f8d16d2985bfc
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-0006-9100000000-6c843965de2368577a54
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-0006-9200000000-bc9330a846bf43b4bd3f
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-001i-0910000000-3db15ccd0e35f4d28cff
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-0uk9-9800000000-2b8831b551e784a41008
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-0a4i-0900000000-773b190e6818e815f3c9
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-000i-9000000000-a6f41eee062c4713d181
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-004i-0920000000-a558d03e31ae58106185
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-0a4i-0900000000-9cd32466db0b0c9c5c55
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-004i-0900000000-06101a50ac12515e4fd0
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , PositiveLC-MS/MSsplash10-004i-0900000000-10d63d9e046e843a5fca
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-006t-0890202100-ef2de9b47cafa707f789
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-004i-9300000000-530438ccab9f22503af5
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-00di-0900000000-ad642e440d924dfd8e20
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-006t-0097000000-24cfd722ea30b6a3b22d
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-006t-0790202100-45d57f0101d4cefbc981
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-004i-9300000000-bd1f04d82f9e675f2303
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-00di-0900000000-d411fff703670832e445
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-006t-0098000000-c86b66ff71cff513520f
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-00di-0900000000-31f44189a2671cf5d2e9
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-00e9-6900000000-cc7fe1badfe13959526d
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-001i-9000000000-ae6465f92e91cfad7276
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, NegativeLC-MS/MSsplash10-001i-9000000000-af0ea33a51fe79abee00
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, NegativeLC-MS/MSsplash10-001i-9000000000-27d6c7ae55f73bb21b3c
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, PositiveLC-MS/MSsplash10-004i-2900000000-a48be30a953f106419c0
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, PositiveLC-MS/MSsplash10-0a6x-9800000000-bd1deb0a50f0e9af0e96
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, PositiveLC-MS/MSsplash10-004i-9000000000-0c03a0f8f6217caf42a4
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, PositiveLC-MS/MSsplash10-03di-3090000000-bf77c1393db9a517e6c0
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, PositiveLC-MS/MSsplash10-00di-9000000000-954acc76409dfcde667b
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-004i-0900000000-56d319e5898af6d405d5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00di-0900000000-31f44189a2671cf5d2e9
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-00e9-6900000000-cc7fe1badfe13959526d
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-9000000000-ae6465f92e91cfad7276
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-9000000000-af0ea33a51fe79abee00
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-001i-9000000000-27d6c7ae55f73bb21b3c
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-004i-9300000000-530438ccab9f22503af5
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-00di-0900000000-ad642e440d924dfd8e20
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-006t-0097000000-e6d9cd15ddc56b10a1c6
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-004i-9300000000-bd1f04d82f9e675f2303
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-00di-0900000000-d411fff703670832e445
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-006t-0098000000-c86b66ff71cff513520f
MS/MS Spectrum - , negativeLC-MS/MSsplash10-00di-4900000000-9793e5415fbc98c19205
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-004i-2900000000-774377f299c9a6849cc6
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0a6x-9800000000-bd1deb0a50f0e9af0e96
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-004i-9000000000-0c03a0f8f6217caf42a4
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-03di-3090000000-bf77c1393db9a517e6c0
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00di-9000000000-954acc76409dfcde667b
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0uk9-9800000000-2b8831b551e784a41008
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4i-0900000000-773b190e6818e815f3c9
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-000i-9000000000-a6f41eee062c4713d181
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4i-0900000000-9cd32466db0b0c9c5c55
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-004i-0900000000-06101a50ac12515e4fd0
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-004i-0900000000-10d63d9e046e843a5fca
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-004i-0900000000-56d319e5898af6d405d5
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These 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
Sulfonyls / Alkanesulfonic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
Substituents
Alkanesulfonic acid / Sulfonyl / Organosulfonic acid / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Primary amine / Organosulfur compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
amino sulfonic acid (CHEBI:15891)

Targets

Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Taurine dioxygenase activity
Specific Function
Catalyzes the conversion of taurine and alpha ketoglutarate to sulfite, aminoacetaldehyde and succinate. Required for the utilization of taurine (2-aminoethanesulfonic acid) as an alternative sulfu...
Gene Name
tauD
Uniprot ID
P37610
Uniprot Name
Alpha-ketoglutarate-dependent taurine dioxygenase
Molecular Weight
32409.26 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Clostridium perfringens (strain 13 / Type A)
Pharmacological action
Unknown
General Function
Choloylglycine hydrolase activity
Specific Function
The enzyme catalyzes the degradation of conjugated bile acids in the mammalian gut.
Gene Name
cbh
Uniprot ID
P54965
Uniprot Name
Choloylglycine hydrolase
Molecular Weight
37185.0 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
Actions
Agonist
General Function
Transmitter-gated ion channel activity
Specific Function
The glycine receptor is a neurotransmitter-gated ion channel. Binding of glycine to its receptor increases the chloride conductance and thus produces hyperpolarization (inhibition of neuronal firing).
Gene Name
GLRA1
Uniprot ID
P23415
Uniprot Name
Glycine receptor subunit alpha-1
Molecular Weight
52623.35 Da
References
  1. Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99. [PubMed:15081878]

Drug created on June 13, 2005 07:24 / Updated on November 09, 2017 03:07