Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
SMILES OCC(=O)O
InChI Key AEMRFAOFKBGASW-UHFFFAOYSA-N
Molecular Formula C2H4O3
Exact Mass 76.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AEMRFAOFKBGASW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AEMRFAOFKBGASW-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-27
Related Molecule
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    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1222 SureChEMBL
    MCULE-9792551388 Mcule
    10016795 NMRShiftDB
    31683 Brenda
    ZINC000004658557 ZINC
    HMDB0000115 Human Metabolome Database
    31684 Brenda
    207315 Brenda
    CB9463563 ChemicalBook
    4251 Brenda
    MTBLC17497 Metabolights
    479 Brenda
    757 PubChem
    15119621 PubChem: Thomson Pharma
    3698251 PubChem
    PD007399 ProbesDrugs
    259744-22-4 ACToR
    26124-68-5 ACToR
    79-14-1 ACToR
    0WT12SX38S FDA SRS
    479771 eMolecules
    DB03085 DrugBank
    C00160 KEGG Ligand
    17497 ChEBI
    GOA PDBe
    C03547 KEGG Ligand
    GLYCOLIC ACID DailyMed
    CB2159809 ChemicalBook
    GLYCOLIC ACID rxnorm
    GLYCOLATE rxnorm
    GLICAC CCDC
    HY-W015967 MedChemExpress
    DTXSID0025363 EPA CompTox Dashboard
    4645 DrugCentral
    J1.494J Nikkaji
    GLYCOLIC ACID clinicaltrials
    CHEMBL252557 ChEMBL
    The data in this table is sourced from UniChem at EBI.