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Class: monosaccharide residue (MonosaccharideResidue)

A monosaccharide as it occurs within a glycan, that is, the part of the glycan contributed by one monosaccharide unit after formation of its glycosidic linkages. A residue differs from the corresponding free monosaccharide by the loss of water at each linkage.

URI: chemrof:MonosaccharideResidue

 classDiagram
    class MonosaccharideResidue
    click MonosaccharideResidue href "../MonosaccharideResidue/"
      MolecularComponent <|-- MonosaccharideResidue
        click MolecularComponent href "../MolecularComponent/"

      MonosaccharideResidue : anomeric_configuration





        MonosaccharideResidue --> "0..1" AnomericConfigurationEnum : anomeric_configuration
        click AnomericConfigurationEnum href "../AnomericConfigurationEnum/"



      MonosaccharideResidue : classified_by





        MonosaccharideResidue --> "*" ChemicalGroupingClass : classified_by
        click ChemicalGroupingClass href "../ChemicalGroupingClass/"



      MonosaccharideResidue : conjugate_acid_of





        MonosaccharideResidue --> "0..1" DomainEntity : conjugate_acid_of
        click DomainEntity href "../DomainEntity/"



      MonosaccharideResidue : conjugate_base_of





        MonosaccharideResidue --> "0..1" DomainEntity : conjugate_base_of
        click DomainEntity href "../DomainEntity/"



      MonosaccharideResidue : cxsmiles_string

      MonosaccharideResidue : dl_configuration





        MonosaccharideResidue --> "0..1" DLConfigurationEnum : dl_configuration
        click DLConfigurationEnum href "../DLConfigurationEnum/"



      MonosaccharideResidue : empirical_formula

      MonosaccharideResidue : has_chemical_role





        MonosaccharideResidue --> "0..1" ChemicalRole : has_chemical_role
        click ChemicalRole href "../ChemicalRole/"



      MonosaccharideResidue : has_major_microspecies_at_pH7_3





        MonosaccharideResidue --> "*" ChemicalEntity : has_major_microspecies_at_pH7_3
        click ChemicalEntity href "../ChemicalEntity/"



      MonosaccharideResidue : id

      MonosaccharideResidue : inchi_atom_connections_sublayer

      MonosaccharideResidue : inchi_charge_sublayer

      MonosaccharideResidue : inchi_chemical_sublayer

      MonosaccharideResidue : inchi_hydrogen_connections_sublayer

      MonosaccharideResidue : inchi_isotopic_layer

      MonosaccharideResidue : inchi_key_string

      MonosaccharideResidue : inchi_proton_sublayer

      MonosaccharideResidue : inchi_stereochemical_double_bond_sublayer

      MonosaccharideResidue : inchi_stereochemical_type_sublayer

      MonosaccharideResidue : inchi_string

      MonosaccharideResidue : inchi_tetrahedral_stereochemical_sublayer

      MonosaccharideResidue : is_radical

      MonosaccharideResidue : IUPAC_name

      MonosaccharideResidue : molecular_formula

      MonosaccharideResidue : molecular_mass

      MonosaccharideResidue : name

      MonosaccharideResidue : owl_subclass_of





        MonosaccharideResidue --> "0..1" OwlClass : owl_subclass_of
        click OwlClass href "../OwlClass/"



      MonosaccharideResidue : pka_ionic_strength

      MonosaccharideResidue : pka_ionization_constant

      MonosaccharideResidue : pka_pressure

      MonosaccharideResidue : pka_solvent

      MonosaccharideResidue : pka_temperature

      MonosaccharideResidue : residue_of





        MonosaccharideResidue --> "0..1" Monosaccharide : residue_of
        click Monosaccharide href "../Monosaccharide/"



      MonosaccharideResidue : ring_form





        MonosaccharideResidue --> "0..1" MonosaccharideRingFormEnum : ring_form
        click MonosaccharideRingFormEnum href "../MonosaccharideRingFormEnum/"



      MonosaccharideResidue : smiles_string

      MonosaccharideResidue : tautomer_of





        MonosaccharideResidue --> "*" Molecule : tautomer_of
        click Molecule href "../Molecule/"



      MonosaccharideResidue : type

      MonosaccharideResidue : water_solubility

Inheritance

Slots

Name Cardinality and Range Description Inheritance
residue_of 0..1
Monosaccharide
Relates a monosaccharide residue, as it occurs within a glycan, to the free m... direct
anomeric_configuration 0..1
AnomericConfigurationEnum
The configuration at the anomeric centre of a cyclic monosaccharide or monosa... direct
ring_form 0..1
MonosaccharideRingFormEnum
The size of the cyclic hemiacetal ring adopted by a monosaccharide, or the ab... direct
dl_configuration 0..1
DLConfigurationEnum
The D/L configurational assignment of a monosaccharide, determined by the con... direct
inchi_atom_connections_sublayer 0..1 recommended
String
The atoms in the chemical formula (except for hydrogens) are numbered in sequ... ChemicalEntity, PolyatomicEntity
IUPAC_name 0..1
String
ChemicalEntity
is_radical 0..1
Boolean
ChemicalEntity
has_chemical_role 0..1
ChemicalRole
ChemicalEntity
inchi_string 0..1
ChemicalEncoding
ChemicalEntity
inchi_key_string 0..1
ChemicalEncoding
A hashed representation of an InChi string ChemicalEntity
inchi_chemical_sublayer 0..1 recommended
String
The part of an InChI string that represents the chemical formula, occurring a... ChemicalEntity
inchi_hydrogen_connections_sublayer 0..1
String
Describes how many hydrogen atoms are connected to each of the other atoms ChemicalEntity
inchi_charge_sublayer 0..1
String
ChemicalEntity
inchi_proton_sublayer 0..1
String
ChemicalEntity
inchi_stereochemical_double_bond_sublayer 0..1
String
ChemicalEntity
inchi_tetrahedral_stereochemical_sublayer 0..1
String
ChemicalEntity
inchi_stereochemical_type_sublayer 0..1
String
ChemicalEntity
inchi_isotopic_layer 0..1
String
ChemicalEntity
smiles_string 0..1
ChemicalEncoding
A string encoding of a molecular graph, no chiral or isotopic information ChemicalEntity
cxsmiles_string 0..1
ChemicalEncoding
A ChemAxon Extended SMILES string that appends a feature block to a SMILES st... ChemicalEntity
empirical_formula 0..1
ChemicalEncoding
A chemical formula where numbers denote relative proportion of atoms ChemicalEntity
molecular_formula 0..1
ChemicalEncoding
A chemical formula where numbers denote atom count ChemicalEntity
has_major_microspecies_at_pH7_3 *
ChemicalEntity
Links different variants of the same chemical in different protonation states... ChemicalEntity
conjugate_base_of 0..1
DomainEntity
connects the base form of an acid to an acid ChemicalEntity
conjugate_acid_of 0..1
DomainEntity
ChemicalEntity
tautomer_of *
Molecule
structural isomers (constitutional isomers) of chemical compounds that readil... ChemicalEntity
molecular_mass 0..1
Float
The sum of the relative atomic masses of the constituent atoms of a molecule ChemicalEntity
water_solubility 0..1
Float
The maximum amount of a substance that can dissolve in water at 25°C, express... ChemicalEntity
pka_ionization_constant *
Float
The negative logarithm of the acid dissociation constant (Ka) for ionizable g... ChemicalEntity
pka_temperature 0..1
Float
Temperature in Celsius at which pKa was measured ChemicalEntity
pka_ionic_strength 0..1
Float
Ionic strength of solution in mol/L at which pKa was measured ChemicalEntity
pka_solvent 0..1
String
Solvent system for pKa measurement ChemicalEntity
pka_pressure 0..1
Float
Pressure in atmospheres at which pKa was measured ChemicalEntity
classified_by *
ChemicalGroupingClass
A subtype_of relationship holds between I and C if I is a specific entity of ... ChemicalEntity
owl_subclass_of 0..1
OwlClass
Holds between C and P if C owl:subClassOf P OwlClass
id 1
String
DomainEntity
name 0..1
String
name of chemical entity DomainEntity
type 0..1
Uriorcurie
DomainEntity

Usages

used by used in type used
Glycan has_monosaccharide_residues range MonosaccharideResidue
Glycan has_reducing_end range MonosaccharideResidue
GlycosidicLinkage subject range MonosaccharideResidue
GlycosidicLinkage object range MonosaccharideResidue

Aliases

  • sugar residue
  • glycosyl residue

Examples

Value
the Fuc residue of the Lewis X trisaccharide

Comments

  • Residues are the nodes of the graph representation of a glycan; the edges are instances of GlycosidicLinkage

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/chemrof

Mappings

Mapping Type Mapped Value
self chemrof:MonosaccharideResidue
native chemrof:MonosaccharideResidue

LinkML Source

Direct

name: MonosaccharideResidue
description: A monosaccharide as it occurs within a glycan, that is, the part of the
  glycan contributed by one monosaccharide unit after formation of its glycosidic
  linkages. A residue differs from the corresponding free monosaccharide by the loss
  of water at each linkage.
title: monosaccharide residue
comments:
- Residues are the nodes of the graph representation of a glycan; the edges are instances
  of GlycosidicLinkage
examples:
- value: the Fuc residue of the Lewis X trisaccharide
from_schema: https://w3id.org/chemrof
aliases:
- sugar residue
- glycosyl residue
is_a: MolecularComponent
slots:
- residue_of
- anomeric_configuration
- ring_form
- dl_configuration

Induced

name: MonosaccharideResidue
description: A monosaccharide as it occurs within a glycan, that is, the part of the
  glycan contributed by one monosaccharide unit after formation of its glycosidic
  linkages. A residue differs from the corresponding free monosaccharide by the loss
  of water at each linkage.
title: monosaccharide residue
comments:
- Residues are the nodes of the graph representation of a glycan; the edges are instances
  of GlycosidicLinkage
examples:
- value: the Fuc residue of the Lewis X trisaccharide
from_schema: https://w3id.org/chemrof
aliases:
- sugar residue
- glycosyl residue
is_a: MolecularComponent
attributes:
  residue_of:
    name: residue_of
    description: Relates a monosaccharide residue, as it occurs within a glycan, to
      the free monosaccharide from which it is formally derived by loss of water.
    title: residue of
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: residue_of
    owner: MonosaccharideResidue
    domain_of:
    - MonosaccharideResidue
    range: Monosaccharide
  anomeric_configuration:
    name: anomeric_configuration
    description: The configuration at the anomeric centre of a cyclic monosaccharide
      or monosaccharide residue, relative to the anomeric reference atom.
    title: anomeric configuration
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://iupac.qmul.ac.uk/2carb/06n07.html
    rank: 1000
    alias: anomeric_configuration
    owner: MonosaccharideResidue
    domain_of:
    - Monosaccharide
    - MonosaccharideResidue
    - GlycosidicLinkage
    range: AnomericConfigurationEnum
  ring_form:
    name: ring_form
    description: The size of the cyclic hemiacetal ring adopted by a monosaccharide,
      or the absence of such a ring.
    title: ring form
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: ring_form
    owner: MonosaccharideResidue
    domain_of:
    - Monosaccharide
    - MonosaccharideResidue
    range: MonosaccharideRingFormEnum
  dl_configuration:
    name: dl_configuration
    description: The D/L configurational assignment of a monosaccharide, determined
      by the configuration at the highest-numbered stereocentre.
    title: D/L configuration
    comments:
    - Distinct from the absolute_configuration slot, which carries a free-text Cahn-Ingold-Prelog
      (R/S) descriptor and applies per stereocentre. A single sugar has one D/L assignment
      but an R/S descriptor at each of its stereocentres
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://iupac.qmul.ac.uk/2carb/03.html
    aliases:
    - D/L configuration
    - absolute configuration
    rank: 1000
    alias: dl_configuration
    owner: MonosaccharideResidue
    domain_of:
    - Monosaccharide
    - MonosaccharideResidue
    range: DLConfigurationEnum
  inchi_atom_connections_sublayer:
    name: inchi_atom_connections_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: The atoms in the chemical formula (except for hydrogens) are numbered
      in sequence; this sublayer describes which atoms are connected by bonds to which
      other ones.
    title: inchi atom connections sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer_in_main_layer
    alias: inchi_atom_connections_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - PolyatomicEntity
    - StandardInchiObject
    - EntityWithConnectivitySpecificied
    range: string
    required: false
    recommended: true
    pattern: ^c.*
  IUPAC_name:
    name: IUPAC_name
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: IUPAC name
    from_schema: https://w3id.org/chemrof
    exact_mappings:
    - MI:2007
    - CHEMINF:000107
    rank: 1000
    is_a: information_property
    alias: IUPAC_name
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: string
  is_radical:
    name: is_radical
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: is radical
    from_schema: https://w3id.org/chemrof
    rank: 1000
    domain: ChemicalEntity
    alias: is_radical
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: boolean
  has_chemical_role:
    name: has_chemical_role
    title: has chemical role
    from_schema: https://w3id.org/chemrof
    rank: 1000
    slot_uri: RO:0000087
    alias: has_chemical_role
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalRole
  inchi_string:
    name: inchi_string
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: InChi
    todos:
    - declare this as a key once compound_key is introduced to linkml
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://chemistry.stackexchange.com/questions/151072/can-cis-trans-isomers-have-same-inchi
    aliases:
    - InChi
    exact_mappings:
    - OntoRXN:hasInChi
    - CHEMINF:000113
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: inchi_string
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalEncoding
  inchi_key_string:
    name: inchi_key_string
    annotations:
      hash_of:
        tag: hash_of
        value: inchi_string
    description: A hashed representation of an InChi string
    title: inchi key string
    from_schema: https://w3id.org/chemrof
    aliases:
    - InChiKey
    - inchi key
    rank: 1000
    is_a: hashed_chemical_formula
    domain: ChemicalEntity
    key: false
    alias: inchi_key_string
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalEncoding
  inchi_chemical_sublayer:
    name: inchi_chemical_sublayer
    annotations:
      inchi.index:
        tag: inchi.index
        value: 2
      owl:
        tag: owl
        value: AnnotationAssertion
    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
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithAtomsEnumerated
    range: string
    required: false
    recommended: true
    pattern: ^[A-Za-z0-9\.]+$
  inchi_hydrogen_connections_sublayer:
    name: inchi_hydrogen_connections_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: Describes how many hydrogen atoms are connected to each of the other
      atoms.
    title: inchi hydrogen connections sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer_in_main_layer
    alias: inchi_hydrogen_connections_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithConnectivitySpecificied
    range: string
    pattern: ^h.*
  inchi_charge_sublayer:
    name: inchi_charge_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi charge sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_charge_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithChargeSpecified
    range: string
    pattern: ^q.*
  inchi_proton_sublayer:
    name: inchi_proton_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi proton sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_proton_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    range: string
    pattern: ^p[+\-]\d+
  inchi_stereochemical_double_bond_sublayer:
    name: inchi_stereochemical_double_bond_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi stereochemical double bond sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_stereochemical_double_bond_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithStereochemistrySpecified
    range: string
    pattern: ^b.*
  inchi_tetrahedral_stereochemical_sublayer:
    name: inchi_tetrahedral_stereochemical_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi tetrahedral stereochemical sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_tetrahedral_stereochemical_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithStereochemistrySpecified
    range: string
    pattern: ^[tm].*
  inchi_stereochemical_type_sublayer:
    name: inchi_stereochemical_type_sublayer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi stereochemical type sublayer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_stereochemical_type_sublayer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithStereochemistrySpecified
    range: string
    pattern: ^s.*
  inchi_isotopic_layer:
    name: inchi_isotopic_layer
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    title: inchi isotopic layer
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: inchi_sublayer
    alias: inchi_isotopic_layer
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - StandardInchiObject
    - EntityWithIsotopeSpecified
    range: string
    pattern: ^[ih].*
  smiles_string:
    name: smiles_string
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: A string encoding of a molecular graph, no chiral or isotopic information.
      There are usually a large number of valid SMILES which represent a given structure.
      For example, CCO, OCC and C(O)C all specify the structure of ethanol.
    title: smiles string
    comments:
    - a problematic set of structures to describe using SMILES notation is those which
      cannot be easily described using molecular graphs (see “Limitations of molecular
      graph representations” section), such as organometallic compounds and ionic
      salts.
    from_schema: https://w3id.org/chemrof
    exact_mappings:
    - CHEMINF:000018
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: smiles_string
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalEncoding
  cxsmiles_string:
    name: cxsmiles_string
    description: A ChemAxon Extended SMILES string that appends a feature block to
      a SMILES string to capture annotations such as atom labels, R-groups, S-groups,
      coordinates, radicals, and enhanced stereochemistry.
    title: CXSMILES string
    examples:
    - value: '[H][C@@](COC([*])=O)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC([*])=O
        |$;;;;;_R1;;;;;;;;;;;;;;;;;;;;;;;;;_R2$|'
      description: CXSMILES for 1-phosphatidyl-1D-myo-inositol 3-phosphate (R1,R2)
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://docs.chemaxon.com/latest/formats_chemaxon-extended-smiles-and-smarts-cxsmiles-and-cxsmarts.html
    aliases:
    - CXSMILES
    - ChemAxon extended SMILES
    - extended SMILES
    exact_mappings:
    - wd:P10718
    rank: 1000
    is_a: smiles_string
    domain: ChemicalEntity
    alias: cxsmiles_string
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - ChemicalGroupingClass
    range: ChemicalEncoding
  empirical_formula:
    name: empirical_formula
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: A chemical formula where numbers denote relative proportion of atoms.
      E.g. CH2O for glucose
    title: empirical formula
    comments:
    - Distinct from molecular_formula, which gives the actual atom counts rather than
      their smallest whole-number ratio
    - The mapping to CHEMINF:000042 is close rather than exact because that term denotes
      the molecular formula. CHEMINF has no term for the empirical formula
    examples:
    - value: CH2O
      description: glucose, whose atom counts 6:12:6 reduce to 1:2:1
    - value: O
      description: dioxygen, whose molecular formula is O2
    from_schema: https://w3id.org/chemrof
    close_mappings:
    - CHEMINF:000042
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: empirical_formula
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalEncoding
  molecular_formula:
    name: molecular_formula
    description: A chemical formula where numbers denote atom count. E.g. C6H12O6
      for glucose
    title: molecular formula
    comments:
    - Distinct from empirical_formula, which reduces the same counts to their smallest
      whole-number ratio. The two coincide only where the counts share no common factor,
      so citric acid is C6H8O7 either way while glucose is C6H12O6 molecularly but
      CH2O empirically
    - Not every chemical entity has one. A polymer of indeterminate length has a repeat
      unit and an empirical formula but no single molecular formula
    examples:
    - value: C6H12O6
      description: glucose
    - value: C8H10N4O2
      description: caffeine, whose empirical formula is C4H5N2O
    from_schema: https://w3id.org/chemrof
    aliases:
    - chemical_formula
    - Hill notation
    exact_mappings:
    - CHEMINF:000042
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: molecular_formula
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalEncoding
  has_major_microspecies_at_pH7_3:
    name: has_major_microspecies_at_pH7_3
    annotations:
      owl:
        tag: owl
        value: SubClassOf, ObjectSomeValuesFrom
    description: Links different variants of the same chemical in different protonation
      states, where the target of this link is the (predicited) to be most common
      protonation state for this chemical at a pH of 7.3. This link may point to it's
      source. Connects an acid to the form that is stable at physiological pH (7.3).
      E.g. citric acid has physiological base citrate(3-)
    title: has physiologically stable form
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://ftp.expasy.org/databases/rhea/tsv/chebi_pH7_3_mapping.tsv
    aliases:
    - protonation neutral form of
    - has Ph 7.3 mapping
    rank: 1000
    is_a: acid_form_of
    domain: ChemicalEntity
    alias: has_major_microspecies_at_pH7_3
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    inverse: major_microspecies_at_pH7_3_of
    range: ChemicalEntity
    multivalued: true
  conjugate_base_of:
    name: conjugate_base_of
    annotations:
      owl:
        tag: owl
        value: SubClassOf, ObjectSomeValuesFrom
    description: 'connects the base form of an acid to an acid. Also connects the
      different charge states of the base. Example: the different charge states of
      lactate (CHEBI:24996) conjugate base of lactic acid (CHEBI:28358)'
    title: conjugate base of
    notes:
    - sometimes chebi hops over a state skipping an intermediate
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://academic.oup.com/nar/article/36/suppl_1/D344/2506390
    aliases:
    - is conjugate base of (chebi)
    exact_mappings:
    - RO:0018033
    rank: 1000
    is_a: direct_conjugatated_form_of
    mixins:
    - has_lower_charge_from
    domain: ChemicalEntity
    alias: conjugate_base_of
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - GroupingClassForAcidsOrBases
    - PolyatomicIon
    range: DomainEntity
  conjugate_acid_of:
    name: conjugate_acid_of
    annotations:
      owl:
        tag: owl
        value: SubClassOf, ObjectSomeValuesFrom
    title: conjugate acid of
    todos:
    - decide on domain/range. in chebi, daidzein monosulfate is conjugate acid of
      daidzein monosulfate(1-), yet it is an acid derivative, not an acid
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://academic.oup.com/nar/article/36/suppl_1/D344/2506390
    aliases:
    - is conjugate acid of (chebi)
    exact_mappings:
    - RO:0018034
    rank: 1000
    is_a: direct_conjugatated_form_of
    mixins:
    - has_higher_charge_from
    domain: ChemicalEntity
    alias: conjugate_acid_of
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    - GroupingClassForAcidsOrBases
    - PolyatomicIon
    inverse: conjugate_base_of
    range: DomainEntity
  tautomer_of:
    name: tautomer_of
    annotations:
      owl:
        tag: owl
        value: SubClassOf, ObjectSomeValuesFrom
    description: 'structural isomers (constitutional isomers) of chemical compounds
      that readily interconvert. Examples: a neutral amino acid and its zwitterion'
    title: tautomer of
    todos:
    - subtypes such as  keto-enol tautomerism
    from_schema: https://w3id.org/chemrof
    exact_mappings:
    - RO:0018036
    rank: 1000
    is_a: structural_isomer_of
    domain: Molecule
    alias: tautomer_of
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: Molecule
    multivalued: true
  molecular_mass:
    name: molecular_mass
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: The sum of the relative atomic masses of the constituent atoms of
      a molecule.
    title: molecular mass
    from_schema: https://w3id.org/chemrof
    exact_mappings:
    - NCIT:C28272
    - FIX:0000270
    - chebi.property:mass
    - CHEMINF:000198
    rank: 1000
    is_a: molecular_property
    alias: molecular_mass
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    unit:
      ucum_code: u
  water_solubility:
    name: water_solubility
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: The maximum amount of a substance that can dissolve in water at 25°C,
      expressed in grams per liter (g/L).
    title: water solubility
    comments:
    - Standard temperature is 25°C (298.15 K)
    - This property represents the maximum equilibrium solubility in pure water
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: water_solubility
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    unit:
      ucum_code: g/L
  pka_ionization_constant:
    name: pka_ionization_constant
    description: The negative logarithm of the acid dissociation constant (Ka) for
      ionizable groups in a molecule. Multiple pKa values may exist for molecules
      with multiple ionizable groups.
    title: pKa ionization constant
    comments:
    - Lower pKa values indicate stronger acids
    - For molecules with multiple ionizable groups, this field can contain multiple
      values
    - 'Standard conditions: aqueous solution at 25°C'
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: pka_ionization_constant
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    multivalued: true
  pka_temperature:
    name: pka_temperature
    description: Temperature in Celsius at which pKa was measured. Default is 25°C
      if not specified.
    title: pKa temperature
    comments:
    - Standard temperature is 25°C (298.15 K)
    - pKa values can shift significantly with temperature following the van't Hoff
      equation
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: pka_temperature
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    unit:
      ucum_code: Cel
  pka_ionic_strength:
    name: pka_ionic_strength
    description: Ionic strength of solution in mol/L at which pKa was measured. Default
      is 0.0 M if not specified.
    title: pKa ionic strength
    comments:
    - Standard ionic strength is 0.0 M (zero ionic strength corresponding to distilled
      water)
    - Salt concentration affects pKa through electrostatic shielding of charges
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: pka_ionic_strength
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    unit:
      ucum_code: mol/L
  pka_solvent:
    name: pka_solvent
    description: Solvent system for pKa measurement. Default is water (H₂O) if not
      specified.
    title: pKa solvent
    comments:
    - Standard solvent is water (H₂O)
    - pKa values in non-aqueous solvents can be dramatically different due to polarity
      effects
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: pka_solvent
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: string
  pka_pressure:
    name: pka_pressure
    description: Pressure in atmospheres at which pKa was measured. Default is 1 atm
      if not specified.
    title: pKa pressure
    comments:
    - Standard pressure is 1 atm
    - Generally minor effect under standard laboratory conditions
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: molecular_property
    alias: pka_pressure
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: float
    unit:
      ucum_code: atm
  classified_by:
    name: classified_by
    description: A subtype_of relationship holds between I and C if I is a specific
      entity of type C. Here I and C denotes instances of OWL classes, where I is
      a specific class and C is a grouping class
    title: classified by
    examples:
    - description: glucose classified by monosaccharide
    from_schema: https://w3id.org/chemrof
    close_mappings:
    - rdf:type
    rank: 1000
    is_a: chemical_to_chemical_relationship
    mixins:
    - owl_subclass_of
    domain: OwlClass
    slot_uri: rdfs:subClassOf
    alias: classified_by
    owner: MonosaccharideResidue
    domain_of:
    - ChemicalEntity
    range: ChemicalGroupingClass
    multivalued: true
  owl_subclass_of:
    name: owl_subclass_of
    annotations:
      owl:
        tag: owl
        value: SubClassOf
    description: 'Holds between C and P if C owl:subClassOf P. Note that in this model,
      most classes are metaclasses (see ''owl class''), where these metaclasses may
      represent *groupings* or specific countable elements or species. We provide
      two different sub-properties of subclass of for two cases: (1) subtype_of, which
      connects grouping classes (e.g. alkane is_a hydrocarbon; alpha-amino-acid is_a
      amino-acid), (2) classified_by, which connects a specific element to a grouping
      class (e.g. methane is_a hydrocarbon; iron is_a metal; serine is_a amino-acid)'
    title: owl subclass of
    from_schema: https://w3id.org/chemrof
    aliases:
    - is a
    exact_mappings:
    - rdfs:subClassOf
    narrow_mappings:
    - bo:family
    rank: 1000
    is_a: classification_relationship
    mixin: true
    domain: OwlClass
    alias: owl_subclass_of
    owner: MonosaccharideResidue
    domain_of:
    - OwlClass
    range: OwlClass
  id:
    name: id
    title: id
    from_schema: https://w3id.org/chemrof
    mappings:
    - schema:identifier
    rank: 1000
    is_a: information_property
    identifier: true
    alias: id
    owner: MonosaccharideResidue
    domain_of:
    - DomainEntity
    - GroupingClass
    - ChemicalGroupingClass
    range: string
    required: true
  name:
    name: name
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    description: name of chemical entity. E.g. nickel, carbon-16
    title: name
    from_schema: https://w3id.org/chemrof
    close_mappings:
    - bo:symbol
    rank: 1000
    is_a: information_property
    slot_uri: rdfs:label
    alias: name
    owner: MonosaccharideResidue
    domain_of:
    - DomainEntity
    - GroupingClass
    - Atom
    - AtomOccurrence
    range: string
  type:
    name: type
    annotations:
      owl.ignore:
        tag: owl.ignore
        value: 'true'
    title: type
    from_schema: https://w3id.org/chemrof
    rank: 1000
    designates_type: true
    alias: type
    owner: MonosaccharideResidue
    domain_of:
    - DomainEntity
    range: uriorcurie