MLchartDataset catalogue

3D structure

Term · Chemistry · MLC-T-CHM-000018

A representation of a chemical compound that describes the precise spatial arrangement of its atoms in three dimensions. This includes bond lengths, bond angles, and dihedral angles, defining the molecule's overall shape and conformation. Techniques like X-ray crystallography and NMR spectroscopy are used to determine these structures.

Table 1. Record
IdentifierMLC-T-CHM-000018
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)
Record as JSON
{
  "id": "MLC-T-CHM-000018",
  "term": "3D structure",
  "field": "Chemistry",
  "definition": "A representation of a chemical compound that describes the precise spatial arrangement of its atoms in three dimensions. This includes bond lengths, bond angles, and dihedral angles, defining the molecule's overall shape and conformation. Techniques like X-ray crystallography and NMR spectroscopy are used to determine these structures.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/3d-structure/"
}

Record 18 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.