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2-Amino-ethanesulfonic acid
SpectraBase Compound ID Kn2pUHuzjlc
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
Mol Weight 125.14 g/mol
Molecular Formula C2H7NO3S
Exact Mass 125.014664 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8t0l9HLQrE
Name Taurine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 107-35-7 91105-79-2
ChEBI ID 15891
Comments 100 mM taurine - vendor: MP Biomedicals 103003; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C2H7NO3S
IUPAC Name 2-aminoethanesulfonic acid
InChI InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey XOAAWQZATWQOTB-UHFFFAOYSA-N
KEGG Compound ID C00245
KEGG Pathways PATH: map00120 Bile acid biosynthesis PATH: map00430 Taurine and hypotaurine metabolism PATH: map02010 ABC transporters - General PATH: map04080 Neuroactive ligand-receptor interaction
PubChem Compound ID 1123
SMILES C(CS(=O)(=O)O)N
Source File Reference bmse000120