Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
SMILES OC[C@@H](C(=O)O)N
InChI Key MTCFGRXMJLQNBG-REOHCLBHSA-N
Molecular Formula C3H7NO3
Exact Mass 105.093 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTCFGRXMJLQNBG-REOHCLBHSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MTCFGRXMJLQNBG-REOHCLBHSA-N/CHMO0000595
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-26
Related Molecule
  • (2S)-2-amino-3-hydroxypropanoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : JAL-CCP-1826-D2O

    Date : 20240725

    Start time : 0.28 h

    Label : CCP-1725

    ID : 138963

    Solvent : D2O

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    DB00133 drugbank
    CHEBI:17115 chebi
    CHEBI:33384 chebi
    SEG rcsb_pdb
    SER rcsb_pdb
    CHEMBL11298 chembl
    1775 surechembl
    5951 pubchem
    6857581 pubchem
    452VLY9402 fdasrs
    PD010212 probes_and_drugs
    LSERIN CCDC
    145040 brenda
    145952 brenda
    262 brenda
    35658 brenda
    870 brenda
    930 brenda
    95 brenda
    HMDB0000187 hmdb
    Molport-003-939-270 molport
    4127 drugcentral
    50357212 bindingdb
    The data in this table is sourced from UniChem at EBI.