Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/MTCFGRXMJLQNBG-REOHCLBHSA-N/CHMO0000596
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 distortionless enhancement with polarization transfer
    Measurement Variables
    Title : JAL-CCP-1826-D2O

    Date : 20240725

    Start time : 0.44 h

    Label : CCP-1725

    ID : 138963

    Solvent : D2O

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    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
    SER pdbe
    HMDB0000187 hmdb
    DTXSID301031857 comptox
    DTXSID60883230 comptox
    NCT00215878 clinicaltrials
    NCT00215904 clinicaltrials
    NCT00215917 clinicaltrials
    NCT00243308 clinicaltrials
    NCT00491569 clinicaltrials
    NCT00499265 clinicaltrials
    NCT00817336 clinicaltrials
    NCT01128244 clinicaltrials
    NCT01733407 clinicaltrials
    NCT01835782 clinicaltrials
    NCT02599038 clinicaltrials
    NCT03062449 clinicaltrials
    NCT03580616 clinicaltrials
    NCT04907084 clinicaltrials
    NCT06113055 clinicaltrials
    Molport-003-939-270 molport
    4127 drugcentral
    50357212 bindingdb
    The data in this table is sourced from UniChem at EBI.