Slot: molecular_formula
The slot to provide the IUPAC formula of a ChemicalEntity.
URI: SIO:000008 Alias: molecular_formula
Inheritance
- has_qualitative_attribute
- molecular_formula
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| ShiftCalibrationCompound | A ChemicalEntity that produces one or more peaks used for chemical shift cali... | no |
| ShiftReferenceCompound | A ShiftCalibrationCompound that produces a peak used as reference frequency i... | no |
| CharacterizedCompound | A ChemicalEntity that being characterized in an NMRSample using data acquired... | no |
| Atom | A MaterialEntity constituting the smallest component of an element having the... | no |
| ChemicalEntity | Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, ... | no |
Properties
-
Range: MolecularFormula
-
Multivalued: True
-
Recommended: True
Identifier and Mapping Information
Schema Source
- from schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | SIO:000008 |
| native | nmr_dcat_ap:molecular_formula |
LinkML Source
name: molecular_formula
description: The slot to provide the IUPAC formula of a ChemicalEntity.
from_schema: https://NFDI4Chem.github.io/nmr-dcat-ap/nmr_dcat_ap.yaml
rank: 1000
is_a: has_qualitative_attribute
slot_uri: SIO:000008
alias: molecular_formula
domain_of:
- ChemicalEntity
range: MolecularFormula
recommended: true
multivalued: true
inlined: true
inlined_as_list: true