Labguru

Labguru Compound Parent Structures API

The Compound Parent Structures API from Labguru — 3 operation(s) for compound parent structures.

GitHub OpenAPI
Business capability
Compound & Library Management BC-1500.60

Operations 4

GET /api/v2/compound_parent_structures List all compound parent structures #
GET /api/v2/compound_parent_structures/{id} Get a compound parent structure by ID #
PUT /api/v2/compound_parent_structures/{id} Update a compound parent structure by ID #
GET /api/v2/compound_parent_structures/{id}/compounds List compounds for a compound parent structure #

Documentation

📖
Documentation
https://help.labguru.com/en/articles/6149483-api-introduction-and-overview
📖
Authentication
https://help.labguru.com/en/articles/2946290-r-api-authentication

Specifications

⚙
OpenAPI
https://raw.githubusercontent.com/api-evangelist/labguru/refs/heads/main/openapi/labguru-compound-parent-structures-api-openapi.yml

SDKs

📦
GitHubRepository
https://github.com/BioData/labguru-api-examples

Other Resources

🔗
ChangeLog
https://help.labguru.com/en/articles/9571977-api-docs-change-log
🔗
PythonSDK
https://github.com/BioData/LabguruPython
🔗
RSDK
https://github.com/BioData/LabguruR
🔗
GraphQL
https://raw.githubusercontent.com/api-evangelist/labguru/refs/heads/main/graphql/labguru-graphql.md

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OpenAPI Specification

labguru-compound-parent-structures-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Labguru Compound Parent Structures API
  description: 'Labguru API is a JSON / REST based API, get started by reviewing the documentation below or code samples.


    Join our dedicated Slack channel

    to be in direct contact with our API team and be informed about the latest updates.


    ***API introduction and overview***'
  version: v2
tags:
- name: Compound Parent Structures
paths:
  /api/v2/compound_parent_structures:
    get:
      summary: List all compound parent structures
      tags:
      - Compound Parent Structures
      description: Returns a list of all compound parent structures.
      parameters:
      - name: token
        in: query
        required: true
        schema:
          type: string
      responses:
        '200':
          description: success
        '401':
          description: unauthorized
        '403':
          description: forbidden
        '404':
          description: not found
      operationId: getApiV2CompoundParentStructures
      x-operation-id-source: derived
  /api/v2/compound_parent_structures/{id}:
    /api/v2/compound_parent_structures/{id}: null
    get:
      summary: Get a compound parent structure by ID
      tags:
      - Compound Parent Structures
      description: Returns a single compound parent structure by its ID.
      parameters:
      - name: token
        in: query
        required: true
        schema:
          type: string
      - name: id
        in: path
        required: true
        schema:
          type: integer
      responses:
        '200':
          description: success
        '401':
          description: unauthorized
        '403':
          description: forbidden
        '404':
          description: not found
      operationId: getApiV2CompoundParentStructuresById
      x-operation-id-source: derived
    put:
      summary: Update a compound parent structure by ID
      tags:
      - Compound Parent Structures
      description: Updates a compound parent structure with the specified ID.
      parameters:
      - name: token
        in: query
        required: true
        schema:
          type: string
      - name: id
        in: path
        required: true
        schema:
          type: integer
      requestBody:
        required: true
        content:
          application/json:
            schema:
              type: object
              required:
              - token
              properties:
                token:
                  type: string
                  example: YOUR TOKEN IS HERE
                parent_structure:
                  type: object
                  properties:
                    owner_id:
                      type: string
                      description: The ID of the owner
                      example: '2'
                    name:
                      type: string
                      description: The name of the parent structure
                      example: Updated Parent Structure Name
      responses:
        '200':
          description: success
          content:
            application/json:
              schema:
                type: object
                properties:
                  uuid:
                    type: string
                    example: fa0708b0-4dad-4b44-97bc-9284492614d6
                  id:
                    type: integer
                    example: 1
                  cd_id:
                    type: integer
                    example: 1
                  member_id:
                    type: integer
                    example: 7
                  owner_id:
                    type: integer
                    example: 7
                  updated_at:
                    type: string
                    format: date-time
                    example: '2025-03-16T16:25:17.000+02:00'
                  created_at:
                    type: string
                    format: date-time
                    example: '2024-11-13T11:13:35.000+02:00'
                  member:
                    type:
                    - string
                    - 'null'
                  description:
                    type:
                    - string
                    - 'null'
                  auto_name:
                    type: string
                    example: CP-24.0001
                  cas:
                    type:
                    - string
                    - 'null'
                  formula:
                    type:
                    - string
                    - 'null'
                  molar_mass:
                    type:
                    - number
                    - 'null'
                  density:
                    type:
                    - number
                    - 'null'
                  boiling_point:
                    type:
                    - number
                    - 'null'
                  melting_point:
                    type:
                    - number
                    - 'null'
                  hazards:
                    type:
                    - string
                    - 'null'
                  purchasable:
                    type:
                    - boolean
                    - 'null'
                  composition:
                    type: string
                    example: C (77.21%), Cl (22.79%)
                  smiles:
                    type: string
                    example: C1CCCC2(C1)[ClH]CCCC2
                  canonical_smiles:
                    type: string
                    example: C1CCC2(CC1)CCCC[ClH]2
                  inchi:
                    type: string
                    example: InChI=1S/C10H19Cl/c1-2-6-10(7-3-1)8-4-5-9-11-10/h11H,1-9H2
                  hba:
                    type: integer
                    example: 19
                  hbd:
                    type: integer
                    example: 1
                  num_hvy_atoms:
                    type:
                    - integer
                    - 'null'
                  num_rotors:
                    type: integer
                    example: 0
                  polar_surface_area:
                    type: string
                    example: '0.0'
                  logp:
                    type: string
                    example: '3.0'
                  num_aromatic:
                    type: integer
                    example: 0
                  num_aliphatic:
                    type: integer
                    example: 2
                  chemical_formula:
                    type: string
                    example: C10H19Cl
                  molecular_weight:
                    type: string
                    example: '174.0'
                  sp3:
                    type: string
                    example: '1.0'
                  l5:
                    type: boolean
                    example: false
                  manufacturer:
                    type:
                    - string
                    - 'null'
                  web_page:
                    type:
                    - string
                    - 'null'
                  image:
                    type: string
                    example: /user_assets/61/depictions/1/original/depiction.png
                  name:
                    type: string
                    example: Compound Nov 13 2024, 11:13:35
                  url:
                    type: string
                    example: /biocollections/compounds/1
                  owner:
                    type: object
                    properties:
                      id:
                        type: integer
                        example: 7
                      name:
                        type: string
                        example: Roee Biran
                      url:
                        type: string
                        example: /admin/members/7
                  location:
                    type:
                    - string
                    - 'null'
                  parents:
                    type:
                    - string
                    - 'null'
                  catalog_number:
                    type:
                    - string
                    - 'null'
                  produce_by:
                    type:
                    - string
                    - 'null'
                  price_with_currency:
                    type:
                    - string
                    - 'null'
                  units:
                    type:
                    - string
                    - 'null'
                  company_id:
                    type:
                    - integer
                    - 'null'
                  unit_size_to_display:
                    type:
                    - string
                    - 'null'
        '401':
          description: unauthorized
        '403':
          description: forbidden
        '404':
          description: not found
        '422':
          description: unprocessable entity
      operationId: putApiV2CompoundParentStructuresById
      x-operation-id-source: derived
  /api/v2/compound_parent_structures/{id}/compounds:
    get:
      summary: List compounds for a compound parent structure
      tags:
      - Compound Parent Structures
      description: Returns a list of compounds associated with the specified compound parent structure.
      parameters:
      - name: token
        in: query
        required: true
        schema:
          type: string
      - name: id
        in: path
        required: true
        schema:
          type: integer
      responses:
        '200':
          description: success
        '401':
          description: unauthorized
        '403':
          description: forbidden
        '404':
          description: not found
      operationId: getApiV2CompoundParentStructuresByIdCompounds
      x-operation-id-source: derived