Taurine
  • CAS Number 107-35-7
  • Catalog Number io-40631
  • Classification Acids
  • Molecular Weight 125.1500
  • SMILES C(CS(=O)(=O)O)N
Size QTY Notes
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Taurine is an amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from methionine and cysteine metabolism. An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension. It has a role as a human metabolite, an antioxidant, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a glycine receptor agonist, a nutrient and a radical scavenger. It is a conjugate acid of a 2-aminoethanesulfonate. It is a tautomer of a taurine zwitterion.

1 taurine
2 2-aminoethanesulfonic acid
3 Ethanesulfonic acid, 2-amino-
4 tauphon
5 L-Taurine
Molecular Formula C2H7NO3S
Canonical SMILES C(CS(=O)(=O)O)N
Isomeric SMILES C(CS(=O)(=O)O)N
Molecular Weight 125.1500
InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
XLogP -4.1000
ExactMass 125.0147
MonoisotopicMass 125.0147
TPSA 88.8000
Complexity 120.0000
Charge 0.0000
HBondDonorCount 2
HBondAcceptorCount 4
RotatableBondCount 2
HeavyAtomCount 7
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 46685
PatentFamilyCount 20272
LiteratureCount 25911