Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
SMILES OC[C@H]1O[C@@H](SC(C)C)[C@@H]([C@H]([C@H]1O)O)O
InChI Key BPHPUYQFMNQIOC-NXRLNHOXSA-N
Molecular Formula C9H18O5S
Exact Mass 238.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BPHPUYQFMNQIOC-NXRLNHOXSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/BPHPUYQFMNQIOC-NXRLNHOXSA-N/CHMO0000596.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SVS-CC06004

    Date : 20240305

    Start time : 11.03 h

    Label : SVS-2873

    ID : 298066

    Solvent : MeOD

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    DB01862 drugbank
    CHEBI:61448 chebi
    IPT rcsb_pdb
    CHEMBL1233651 chembl
    25476 surechembl
    656894 pubchem
    X73VV2246B fdasrs
    PD012500 probes_and_drugs
    FIVTAF CCDC
    10680 brenda
    12568 brenda
    144123 brenda
    144167 brenda
    152013 brenda
    152030 brenda
    152045 brenda
    210470 brenda
    211578 brenda
    21159 brenda
    32904 brenda
    4409 brenda
    47944 brenda
    49133 brenda
    9544 brenda
    Molport-004-960-131 molport
    192770 bindingdb
    The data in this table is sourced from UniChem at EBI.