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Hypotaurine
SpectraBase Compound ID 3oGLLYfhR1Y
InChI InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
InChIKey VVIUBCNYACGLLV-UHFFFAOYSA-N
Mol Weight 109.14 g/mol
Molecular Formula C2H7NO2S
Exact Mass 109.01975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AL7HG3JDmVS
Name Hypotaurine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 300-84-5
ChEBI ID 16668
Comments 100 mM Hypotaurine - Sigma-Aldrich H1384 Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C2 H7 N O2 S
IUPAC Name 2-aminoethanesulfinic acid
InChI InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
InChIKey VVIUBCNYACGLLV-UHFFFAOYSA-N
KEGG Compound ID C00519
KEGG Pathways PATH: ko00430 Taurine and hypotaurine metabolism
PubChem Compound ID 107812
SMILES C(CS(=O)O)N
Source File Reference bmse000452