UCSF

ZINC03809490

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 7 Yes

Popular Name: Taurine Taurine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 107-35-7 , 91105-79-2 , [107-35-7] , [7347-25-3]

Other Names:

"Taurine, 99%"

Aminoethylsulfonic acid; 1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-aminoethanesulfonic acid; 2-aminoethyl sulfonate; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethanesulfonic acid

1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; b-Aminoethylsulfonate; b-Amino

1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; Taurine; b-Aminoethylsulfonate

1-Aminoethane-2-sulfonate;1-Aminoethane-2-sulfonic acid;2-Aminoethanesulfonate;2-Aminoethanesulfonic acid;2-Aminoethylsulfonate;2-Aminoethylsulfonic acid;2-Sulfoethylamine;Aminoethylsulfonate;Aminoethylsulfonic acid;b-Aminoethylsulfonate;b-Aminoethylsulfo

1-Aminoethane-2-sulfonate;1-Aminoethane-2-sulfonic acid;2-Aminoethanesulfonate;2-Aminoethanesulfonic acid;2-Aminoethylsulfonate;2-Aminoethylsulfonic acid;2-Sulfoethylamine;Aminoethylsulfonate;Aminoethylsulfonic acid;Taurine;b-Aminoethylsulfonate;b-Aminoet

107-35-7; 2-aminoethanesulfonate; 2-aminoethanesulfonic acid; aminoetylsulphonic acid; ethylaminesulphonic acid; taufon; tauphon; taurine

107-35-7; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid; C00245; Taurine

107-35-7; Aminoethylsulfonic acid (JAN); D00047; Taurine (JP16/USP/INN); Taurine (TN)

2-aminoethanesulfonate

2-Aminoethanesulfonic acid

2-Aminoethanesulfonic acid; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; AI3-18307; Aminoethanesulfonic acid; CCRIS 4721; EINECS 203-483-8; Ethanesulfonic acid, 2-amino-; FEMA No. 3813; L-TAURINE; LS-439; NCI-C60606; NSC 32428; O-Due; Tauphon; Taurina [S

2-Aminoethanesulfonic acid; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethanesulfonic acid; Aminoethylsulfonic acid; Ethanesulfonic acid, 2-amino-; L-Taurine; O-Due; Tauphon; Taurina [Spanish]; Taurine; Taurine [INN]; Taurinum [Latin]; beta-Aminoe

2-Aminoethanesulphonic Acid [107-35-7]; (Taurine)

2-AMINOETHANESULPHONIC ACID; [107-35-7]

2-aminoethyl sulfonate; beta-aminoethylsulfonic acid

2-ammonioethanesulfonate; taurine

747

Aminoethylsulfonic Acid (JAN); Taurine (INN

CHEBI:45877; CHEBI:15195; CHEBI:26852; CHEBI:9406

ethanesulfonic acid, 2-amino-

MFCD00008197

MI

Sodium taurinate

Taurin

taurine zwitterion

Taurine, 99%

Taurine;2-Aminoethanesulfonic acid

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.80 -4.36 -57.03 3 4 0 85 125.149 2 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 0.233 Bitter DB
ALOGPS_SOLUBILITY 1.05e+02 g/l DrugBank-experimental
MP 298 - 300 Enamine Building Blocks
MP 298...300 Enamine Building Blocks
Mp [°C] 300 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
UniProt Database Links ACNT1_MOUSE; ACNT2_MOUSE; ACNT2_RAT; CDO1_BOVIN; CDO1_CAEEL; CDO1_DANRE; CDO1_HUMAN; CDO1_MOUSE; CDO1_PONAB; CDO1_RAT; CDO_AJECG; CDO_CAEBR; CDO_CANAL; CDO_SCHJA; CSAD_HUMAN; CSAD_MOUSE; CSAD_RAT; CUYA_RUEPO; GATM_RAT; GLRA1_DANRE; PANC_ECOLI; PANC_MYCTU ChEBI
Patent Database Links EP0922699; EP0951842; EP0962459; EP1043322; EP1123929; EP1151997; EP1306083; EP1422218; EP1516914; EP1568706; EP1588703; EP1609462; EP1614432; EP1671550; EP1704847; EP1728507; EP1738747; EP1800675; EP1808170; EP1849466; EP1859835; EP1886669; EP1886676; EP ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
Therapy neuroprotectant, inhibitory neurotransmitter, GABA agonist SMDC Pharmakon
Target Others Selleck Chemicals
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Reactome Database Links REACT_115982; REACT_13704; REACT_9968; REACT_9974; REACT_9991 ChEBI
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
UniProt Database Links TAUD_ECOLI ChEBI
Notes Water (by Karl Fischer) <1.0% Apollo Scientific Bioactives
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Amino acid transport across the plasma membrane
Degradation of cysteine and homocysteine
Na+/Cl- dependent neurotransmitter transporters
Recycling of bile acids and salts
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.