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Enum: BondTypeEnum

Types of chemical bonds

URI: valuesets:BondTypeEnum

Permissible Values

Value Meaning Description
SINGLE gc:Single Single covalent bond
DOUBLE gc:Double Double covalent bond
TRIPLE gc:Triple Triple covalent bond
QUADRUPLE gc:Quadruple Quadruple bond (rare, in transition metals)
AROMATIC gc:AromaticBond Aromatic bond
IONIC CHEBI:50860 Ionic bond
HYDROGEN None Hydrogen bond
METALLIC None Metallic bond
VAN_DER_WAALS None Van der Waals interaction
COORDINATE CHEBI:33240 Coordinate/dative covalent bond
PI None Pi bond
SIGMA None Sigma bond

Slots

Name Description
bond_type Types of chemical bonds

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/linkml/valuesets

LinkML Source

name: BondTypeEnum
description: Types of chemical bonds
from_schema: https://w3id.org/linkml/valuesets
rank: 1000
permissible_values:
  SINGLE:
    text: SINGLE
    description: Single covalent bond
    meaning: gc:Single
    annotations:
      bond_order:
        tag: bond_order
        value: '1'
      electrons_shared:
        tag: electrons_shared
        value: '2'
  DOUBLE:
    text: DOUBLE
    description: Double covalent bond
    meaning: gc:Double
    annotations:
      bond_order:
        tag: bond_order
        value: '2'
      electrons_shared:
        tag: electrons_shared
        value: '4'
  TRIPLE:
    text: TRIPLE
    description: Triple covalent bond
    meaning: gc:Triple
    annotations:
      bond_order:
        tag: bond_order
        value: '3'
      electrons_shared:
        tag: electrons_shared
        value: '6'
  QUADRUPLE:
    text: QUADRUPLE
    description: Quadruple bond (rare, in transition metals)
    meaning: gc:Quadruple
    annotations:
      bond_order:
        tag: bond_order
        value: '4'
      electrons_shared:
        tag: electrons_shared
        value: '8'
  AROMATIC:
    text: AROMATIC
    description: Aromatic bond
    meaning: gc:AromaticBond
    annotations:
      bond_order:
        tag: bond_order
        value: '1.5'
      delocalized:
        tag: delocalized
        value: 'true'
  IONIC:
    text: IONIC
    description: Ionic bond
    meaning: CHEBI:50860
    annotations:
      type:
        tag: type
        value: electrostatic
    title: organic molecular entity
  HYDROGEN:
    text: HYDROGEN
    description: Hydrogen bond
    annotations:
      type:
        tag: type
        value: weak interaction
      energy:
        tag: energy
        value: 5-30 kJ/mol
  METALLIC:
    text: METALLIC
    description: Metallic bond
    annotations:
      type:
        tag: type
        value: delocalized electrons
  VAN_DER_WAALS:
    text: VAN_DER_WAALS
    description: Van der Waals interaction
    annotations:
      type:
        tag: type
        value: weak interaction
      energy:
        tag: energy
        value: 0.4-4 kJ/mol
  COORDINATE:
    text: COORDINATE
    description: Coordinate/dative covalent bond
    meaning: CHEBI:33240
    annotations:
      electrons_from:
        tag: electrons_from
        value: one atom
    title: coordination entity
  PI:
    text: PI
    description: Pi bond
    annotations:
      orbital_overlap:
        tag: orbital_overlap
        value: side-to-side
  SIGMA:
    text: SIGMA
    description: Sigma bond
    annotations:
      orbital_overlap:
        tag: orbital_overlap
        value: head-to-head