Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES OC(=O)CC(=O)O
InChI Key OFOBLEOULBTSOW-UHFFFAOYSA-N
Molecular Formula C3H4O4
Exact Mass 104.061 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OFOBLEOULBTSOW-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/OFOBLEOULBTSOW-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-12-02

Start time : 01:48:30 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-23368

ID : 355985

Solvent : DMSO

Temperature : 297.999617887261 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
DB02175 drugbank
CHEBI:30794 chebi
LMFA01170041 lipidmaps
MLA rcsb_pdb
CHEMBL7942 chembl
336 surechembl
66611 surechembl
23511544 pubchem
867 pubchem
9KX7ZMG0MK fdasrs
PD008159 probes_and_drugs
MALNAC CCDC
101788 brenda
10708 brenda
107128 brenda
165664 brenda
180753 brenda
184505 brenda
392 brenda
HMDB0000691 hmdb
14673 bindingdb
The data in this table is sourced from UniChem at EBI.