Dataset

Desulfated_heterofucan[167]

Chemical Information

molecular Image
InChI InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
SMILES C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key SHZGCJCMOBCMKK-DHVFOXMCSA-N
Molecular Formula C6H12O5
Exact Mass 164.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p83.s706.d3475
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D3475
Version
Author
Maintainer
Language english
MetadataPublished 2024-10-07T18:52:02.000000Z
Related Molecule
  • (3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : Z119427_0018 (CP TCI 800S4 H-C/N-D-05 Z)

    Temperature : 298.0995 K

    magnetic field strength : 18.78998070928335 Tesla

    number of scans : 48 scans

    nuclear magnetic resonance pulse sequence : hmbcetgpl3nd

    Spectral Width : [10.0156029982285, 189.712021628407]

    number of data points : 18 points

    relaxation time measurement : 1.8 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:2181 chebi
    63943 surechembl
    17106 pubchem
    PD124421 probes_and_drugs
    101744 brenda
    105335 brenda
    180137 brenda
    5119 brenda
    717 brenda
    50723039 bindingdb
    50724858 bindingdb
    51093763 bindingdb
    51093765 bindingdb
    51234929 bindingdb
    51234966 bindingdb
    51243806 bindingdb
    51526888 bindingdb
    The data in this table is sourced from UniChem at EBI.