Taurine
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CAS Number 107-35-7
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Catalog Number io-40631
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Classification Acids
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Molecular Weight 125.1500
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SMILES C(CS(=O)(=O)O)N
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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 |
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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 |