Wiley SpectraBase; SpectraBase Compound ID=HOSAPkJn9N SpectraBase Spectrum ID=ux8iHELNNE
http://spectrabase.com/spectrum/ux8iHELNNE (accessed Aug 13, 2020).

L-Cysteine
SpectraBase Compound ID HOSAPkJn9N
InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey XUJNEKJLAYXESH-REOHCLBHSA-N
Mol Weight 121.15 g/mol
Molecular Formula C3H7NO2S
Exact Mass 121.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

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13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ux8iHELNNE
SpectraBase Batch ID F920unhVbr0
Name L-Cysteine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 4371-52-2 52-90-4 7048-04-6
ChEBI ID 17561
Comments 100 mM L-Cysteine - vendor: Sigma c7352; 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)
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Formula C3H7NO2S
IUPAC Name (2R)-2-amino-3-sulfanyl-propanoic acid; (2R)-2-amino-3-mercapto-propanoic acid
InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey XUJNEKJLAYXESH-REOHCLBHSA-N
KEGG Compound ID C00097
KEGG Pathways PATH: map00260 Glycine, serine and threonine metabolism PATH: map00271 Methionine metabolism PATH: map00272 Cysteine metabolism PATH: map00311 Penicillins and cephalosporins biosynthesis PATH: map00430 Taurine and hypotaurine metabolism PATH: map00480 Glutathione metabolism PATH: map00770 Pantothenate and CoA biosynthesis PATH: map00920 Sulfur metabolism PATH: map00970 Aminoacyl-tRNA biosynthesis
PubChem Compound ID 5862
SMILES C(C(C(=O)O)N)S
Source File Reference bmse000034
SpectraBase Compound ID HOSAPkJn9N