Create a Molecule

POST

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

POST

/api/v2/molecules

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

{
  "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 a Molecule

Authentication

AuthorizationBearer

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

Request

This endpoint expects an object.

chemicalStructureobjectRequired

Chemical structure of the Molecule.

namestringRequired

Name of the Molecule.

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.

entityRegistryIdstringOptional

Entity registry ID to set for the registered entity. Cannot specify both entityRegistryId and namingStrategy at the same time.

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.

folderIdstringOptional

ID of the folder containing the Molecule.

namingStrategyenumOptional

Specifies the behavior for automatically generated names when registering an entity.

NEW_IDS: Generate new registry IDs
IDS_FROM_NAMES: Generate registry IDs based on entity names
DELETE_NAMES: Generate new registry IDs and replace name with registry ID
SET_FROM_NAME_PARTS: Generate new registry IDs, rename according to name template, and keep old name as alias
REPLACE_NAMES_FROM_PARTS: Generate new registry IDs, and replace name according to name template
KEEP_NAMES: Keep existing entity names as registry IDs
REPLACE_ID_AND_NAME_FROM_PARTS: Generate registry IDs and names according to name template

registryIdstringOptional

Registry ID into which entity should be registered. this is the ID of the registry which was configured for a particular organization To get available registryIds, use the /registries endpoint

Required in order for entities to be created directly in the registry.

schemaIdstringOptional

ID of the Molecule's schema.

Response

Created

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

503

Service Unavailable Error