Slot: inchi chemical sublayer (inchi_chemical_sublayer)
The part of an InChI string that represents the chemical formula, occurring after the version string. E.g. C6H12O6 for glucose
URI: chemrof:inchi_chemical_sublayer
Inheritance
- information_property
- inchi_component
- inchi_sublayer
- inchi_sublayer_in_main_layer
- inchi_chemical_sublayer
- inchi_sublayer_in_main_layer
- inchi_sublayer
- inchi_component
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Allotrope | A molecule consisting of atoms of the same element | no |
| PreciseChemicalMixture | A polyatomic entity that consists of two or more parts that are weakly bound,... | no |
| Zwitterion | A molecule that has both a positive and negative charges but is net neutral | no |
| UnchargedAtom | An atom type that has no charge | no |
| PartiallySpecifiedAtom | An atom type that only has a subset of properties (has atomic number, charge,... | no |
| Atom | A chemical entity consisting of exactly one atomic nucleus and the electron(s... | no |
| AtomCation | A monoatomic ion that is positive, e | no |
| Peptide | no | |
| ChemicalGroup | no | |
| FullySpecifiedAtom | An atom type that has atomic number, charge, and neutron number stated (equiv... | no |
| ChemicalEntity | A discrete structure that is one or more atoms that can be described by a che... | yes |
| NucleotideSequenceInterval | no | |
| NonSpeciesMolecule | A molecule in which the units are not identical | no |
| Glycan | A macromolecule consisting of a large number of monosaccharides linked glycos... | no |
| MonoatomicIon | An atom type that has a charge | no |
| SupramolecularPolymer | polymeric arrays of monomeric units that are connected by reversible and high... | no |
| NaturalProduct | no | |
| NetUnchargedMolecule | A molecule that has no net charge | no |
| MolecularSubsequence | no | |
| Macromolecule | A large molecule, such as a polymer, lipid, or macrocycle | no |
| SmallMolecule | A molecule characterized by availability in small-molecule databases | no |
| AtomAnion | A monoatomic ion that is negative | no |
| RNASequenceInterval | no | |
| ChemicalSalt | a chemical compound consisting of an ionic assembly of cations and anions | no |
| MolecularComplex | A molecular complex is a chemical complex composed of at least one weakly int... | no |
| MolecularComponent | A proper part of a molecule that is larger than an atom | no |
| Protein | no | |
| Nuclide | an atomic species characterized by the specific constitution of its nucleus | no |
| AminoAcidSequenceInterval | no | |
| PolymerPart | no | |
| Monomer | no | |
| Molecule | A chemical entity that consists of two or more atoms where all atoms are conn... | no |
| FunctionalGroup | no | |
| EntityWithAtomsEnumerated | A mixin for an entity that consists of one or more atoms where the atoms and ... | no |
| PolyatomicEntity | Any chemical entity consisting of more than one atom | no |
| SequenceInterval | a chain of connected monomers in a linear polymer - for example, a sub-region... | no |
| Enantiomer | one of two stereoisomers of a chiral molecule that are mirror images | no |
| RacemicMixture | a chemical compound that has equal amounts of left- and right-handed enantiom... | no |
| Moiety | a named part of a molecule | no |
| PolyatomicIon | A molecule that has a net charge | no |
| Isotope | A specific subtype of an atom with a specified neutron number | no |
| ChemicalMixture | A polyatomic entity that consists of two or more parts that are weakly bound,... | no |
| Copolymer | a polymer with a more than one type of repeating unit | no |
| MoleculeByChargeState | A molecule that has a charge state specified | no |
| Ester | An ester is a chemical compound derived from an acid (organic or inorganic) i... | no |
| AtomIonicForm | an atom type in which only charge state is specified, designated by the eleme... | no |
| Radionuclide | an atom that has excess nuclear energy, making it unstable | no |
| Homopolymer | a polymer with a single type of repeating unit | no |
| StandardInchiObject | no | |
| MolecularSpecies | A molecule in which the units are identical | no |
| MonomolecularPolymer | A macromolecule composed of repeating subunits | no |
| NeutralMolecule | A molecule that has no net charge and is not a zwitterion | no |
| DNASequenceInterval | no | |
| Isobar | Isobars are atoms (nuclides) of different chemical elements that have the sam... | no |
| ImpreciseChemicalMixture | A macroscopic polyatomic entity that consists of multiple chemical entities w... | no |
| MolecularCation | A polyatomic ion that is positive | no |
| ChemicalElement | generic form of an atom, with unspecified neutron or charge | no |
| MolecularAnion | A polyatomic ion that is negative | no |
| Stereoisomer | no |
Properties
-
Range: String
-
Regex pattern:
^[A-Z0-9\.]+$
Comments
- in the case of hydrates, the dot separates the formula of the compound from the water molecules. For example, CuSO₄·5H₂O represents copper(II) sulfate pentahydrate, indicating that there are five water molecules associated with each copper(II) sulfate unit in the crystal.
- Salt Formulations: Dots can also be used to denote the proportions in which different components are combined to form a salt. For instance, "CaCl₂·2AgNO₃" would suggest a complex formed from one unit of calcium chloride and two units of silver nitrate, though this particular example is more illustrative than practical.
- Coordination Complexes: In coordination chemistry, dots can separate the metal complex from its counterions or ligands that are not directly bonded to the metal center. For example, "[Co(NH₃)₆]Cl₃" indicates a complex of cobalt with six ammonia ligands, and the three chloride ions are counterions. If written as "[Co(NH₃)₆]·3Cl", it would similarly denote the presence of three chloride ions associated with the complex, though this notation is less common
- Molecular Assemblies: For certain supramolecular structures or assemblies, dots might be used to indicate a non-covalent association of components. This usage is less common and more context-dependent
Identifier and Mapping Information
Annotations
| property | value |
|---|---|
| inchi.index | 2 |
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | chemrof:inchi_chemical_sublayer |
| native | chemrof:inchi_chemical_sublayer |
LinkML Source
name: inchi_chemical_sublayer
annotations:
inchi.index:
tag: inchi.index
value: 2
description: The part of an InChI string that represents the chemical formula, occurring
after the version string. E.g. C6H12O6 for glucose
title: inchi chemical sublayer
comments:
- in the case of hydrates, the dot separates the formula of the compound from the
water molecules. For example, CuSO₄·5H₂O represents copper(II) sulfate pentahydrate,
indicating that there are five water molecules associated with each copper(II) sulfate
unit in the crystal.
- 'Salt Formulations: Dots can also be used to denote the proportions in which different
components are combined to form a salt. For instance, "CaCl₂·2AgNO₃" would suggest
a complex formed from one unit of calcium chloride and two units of silver nitrate,
though this particular example is more illustrative than practical.'
- 'Coordination Complexes: In coordination chemistry, dots can separate the metal
complex from its counterions or ligands that are not directly bonded to the metal
center. For example, "[Co(NH₃)₆]Cl₃" indicates a complex of cobalt with six ammonia
ligands, and the three chloride ions are counterions. If written as "[Co(NH₃)₆]·3Cl",
it would similarly denote the presence of three chloride ions associated with the
complex, though this notation is less common'
- 'Molecular Assemblies: For certain supramolecular structures or assemblies, dots
might be used to indicate a non-covalent association of components. This usage is
less common and more context-dependent'
from_schema: https://w3id.org/chemrof
rank: 1000
is_a: inchi_sublayer_in_main_layer
alias: inchi_chemical_sublayer
domain_of:
- ChemicalEntity
- StandardInchiObject
- EntityWithAtomsEnumerated
range: string
required: false
pattern: ^[A-Z0-9\.]+$