Spektraris NMR

Common Name: (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate

Synonyms: (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate

CAS Registry Number:

InChI: InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1

InChIKey: InChIKey=MWFRVMDVLYIXJF-BYPYZUCNSA-N

Formula: C5H11N1O3S1

Molecular Weight: 165.21207

Exact Mass: 165.045964

NMR Solvent: D2O

MHz:

Calibration:

NMR references: 13C - Kubec R., Kim S., Musah R.A. Phytochemistry (2002) 61, 675-80

Species:

Notes: Family : Aminoacids-Peptides, Type : Aminoacids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)