Create or update a registered Molecule

PATCH

https://{tenant_name}.benchling.com/api/v2/molecules/:entity_registry_id:upsert

PATCH

/api/v2/molecules/:entity_registry_id:upsert

curl -X PATCH https://{tenant_name}.benchling.com/api/v2/molecules/entity_registry_id:upsert \
     -H "Authorization: Bearer <token>" \
     -H "Content-Type: application/json" \
     -d '{
  "name": "string",
  "registryId": "string",
  "schemaId": "string",
  "chemicalStructure": {}
}'

{
  "aliases": [
    "string"
  ],
  "apiURL": "string",
  "archiveRecord": {
    "reason": "Made in error"
  },
  "authors": [
    {
      "handle": "string",
      "id": "string",
      "name": "string"
    }
  ],
  "canonicalizedSmiles": "Nc1nc(=O)n([H])cc1C1CC1",
  "createdAt": "2024-01-15T09:30:00Z",
  "creator": {
    "handle": "string",
    "id": "string",
    "name": "string"
  },
  "customFields": {},
  "entityRegistryId": "string",
  "fields": {},
  "folderId": "string",
  "id": "mol_bhuDUw9D",
  "modifiedAt": "2024-01-15T09:30:00Z",
  "name": "string",
  "originalSmiles": "Nc1nc(=O)n([H])cc1C1CC1",
  "registrationOrigin": {
    "originEntryId": "string",
    "registeredAt": "2024-01-15T09:30:00Z"
  },
  "registryId": "string",
  "schema": {
    "id": "string",
    "name": "string"
  },
  "webURL": "https://benchling.com/benchling/f/lib_R8KcsjhW-molecules/mol_xCUXNVyG-molecule1/edit"
}

Create or update a registered Molecule.

Schema field links can be populated using entity registry IDs or API IDs. In the value field of the Field resource, the object {"entityRegistryId": ENTITY_REGISTRY_ID} may be provided instead of the API ID if desired (see example value).

Authentication

AuthorizationBearer

Bearer authentication of the form Bearer <token>, where token is your auth token.

Path parameters

entity_registry_idstringRequired

Request

This endpoint expects an object.

namestringRequired

Name of the Molecule.

registryIdstringRequired

schemaIdstringRequired

ID of the Molecule's schema.

chemicalStructureobjectRequired

Chemical structure of the Molecule.

archiveRecordobjectOptional

Currently, we only support setting a null value for archiveRecord, which unarchives the item

fieldsmap from strings to objectsOptional

Fields to set on the Molecule. Must correspond with the schema's field definitions. Every field should have its name as a key, mapping to an object with information about the value of the field.

aliaseslist of stringsOptional

Aliases to add to the Molecule.

authorIdslist of stringsOptional

IDs of users to set as the Molecule's authors.

customFieldsmap from strings to objectsOptional

Custom fields to add to the Molecule. Every field should have its name as a key, mapping to an object with information about the value of the field.

folderIdstringOptional

ID of the folder containing the Molecule.

Response

aliaseslist of stringsOptional

Array of aliases.

apiURLstringOptionalRead-onlyformat: "uri"

The canonical url of the Molecule in the API.

archiveRecordobject or nullOptional

authorslist of objectsOptional

canonicalizedSmilesstringOptional

The canonicalized chemical structure in SMILES format.

createdAtdatetimeOptionalRead-only

DateTime the Molecule was created.

creatorobjectOptional

customFieldsmap from strings to objectsOptional

Custom fields set on the Molecule.

entityRegistryIdstring or nullOptional

Registry ID of the Molecule if registered.

fieldsmap from strings to objectsOptional

folderIdstring or nullOptional

ID of the folder that contains the Molecule.

idstringOptional

ID of the Molecule.

modifiedAtdatetimeOptionalRead-only

DateTime the Molecule was last modified.

namestringOptional

Name of the Molecule.

originalSmilesstring or nullOptional

The original chemical structure supplied by the user in SMILES format. Null if the user did not originally supply SMILES.

registrationOriginobject or nullOptional

registryIdstring or nullOptional

Registry the Molecule is registered in.

schemaobject or nullOptional

webURLstringOptionalRead-onlyformat: "uri"

URL of the Molecule.

Errors

400

Bad Request Error