--- title: "Create Molecule" method: POST path: "/api/v3/molecule" tags: ["Molecule"] --- # Create Molecule `POST /api/v3/molecule` ## Request - Base URL: `https://{tenant_name}.benchling.com` - URL: `https://{tenant_name}.benchling.com/api/v3/molecule` - Auth: HTTP bearer Create Molecule. ## Request body - CreateMoleculeInput - `aliases` string[] - `authorIds` string[] - `chemicalStructure` ChemicalStructureInput, required - `structureFormat` 'smiles' | 'molfile', required - `value` string, required: Chemical structure in SMILES or molfile format. Pass an empty SMILES string to create a Molecule with no defined structure (equivalent to leaving the structure blank in the app's sketcher). - `customFields` object - `entityRegistryId` string: Registry ID to assign to the entity. If one is specified, the labeling_strategy must be unspecified. - `folderId` string - `name` string, required: Name of the item. - `namingStrategy` 'NEW_IDS' | 'IDS_FROM_NAMES' | 'DELETE_NAMES' | 'SET_FROM_NAME_PARTS' | 'REPLACE_NAMES_FROM_PARTS' | 'KEEP_NAMES' | 'REPLACE_ID_AND_NAME_FROM_PARTS': Strategy to use for labeling the item in the registry. If one is specified, the entity_registry_id must be unspecified. - `registryId` string, nullable: A not null value means the entity should be registered. If not null, the value must match the registry of the item's schema. - `schemaFields` object - `schemaId` string ## Response `201` Created - Molecule: A Molecule represents a small molecule chemical compound in Benchling that is imported either as a MolFile or using SMILES (Simplified Molecular Input Line Entry System) notation. Molecules are registry entities that can be registered, searched, and linked to other items. When present, the `canonicalSmiles` field provides a standardized SMILES representation for comparison, while originalSmiles preserves the user-provided SMILES and may be null if SMILES was not provided at creation. Molecules support custom fields via schemas and can be organized in folders and projects. - `__typename` string - `aliases` string[], nullable - `archiveReason` string, nullable - `archived` boolean - `canonicalSmiles` string, nullable: The canonicalized chemical structure in SMILES format. E.g., Nc1nc(=O)n([H:1])cc1C1CC1 - `createdAt` string, datetime, nullable - `customFields` CustomField[], nullable - `__typename` string - `name` string, nullable - `value` string, nullable - `entityRegistryId` string, nullable: The registry-assigned identifier for this item (e.g. its registry ID shown in the UI), present only once the item has been registered. Null if the item is not registered. - `folder` FolderRef - `__typename` string - `id` string, api_id - `id` string - `modifiedAt` string, datetime, nullable - `name` string, nullable: Name of the item. - `originalSmiles` string, nullable: The original chemical structure in SMILES format. Null if the user did not originally provide SMILES. E.g., Nc1nc(=O)n([H:1])cc1C1CC1 - `project` ProjectRef - `__typename` string - `id` string, api_id - `registrationOrigin` RegistrationOrigin: Captures the provenance of an entity's registration into the registry. The `originEntry` links to the `DocumentLike` (typically an entry or notebook) from which the entity was registered, providing traceability back to the original experimental context. The `registeredAt` timestamp records when the registration occurred. This information helps scientists understand where registered entities came from and when they were added to the registry. - `__typename` string - `originEntry` DocumentLikeRef - `__typename` string - `id` string, api_id - `registeredAt` string, datetime, nullable - `registry` RegistryRef - `__typename` string - `id` string, api_id - `schema` EntitySchemaRef - `__typename` string - `id` string, api_id - `smilesWithCounterparts` string, nullable: The full chemical structure in SMILES format, including salt and solvate counterparts as dot-disconnected fragments (each repeated according to its ratio). When a compound has no counterparts, this equals canonicalSmiles. Null if the full structure couldn't be calculated. - `typedSchema` MoleculeSchemaRef - `__typename` string - `id` string, api_id - `authors` string, uri, nullable - `creator` PrincipalRef - `__typename` string - `id` string, api_id - `schemaFields` SchemaFieldValue[], nullable - `__typename` string - `fieldDefinition` SchemaFieldDefinitionRef - `__typename` string - `id` string, api_id - `id` string - `linkedEntityId` string, nullable - `value` union: Types of values that Benchling can interpret. - object: A type that represents a list of BenchlingValues, used for multi-value cells (e.g. alias columns). - `__typename` 'ArrayValue', required: Discriminator value: ArrayValue - `value` SingularBenchlingValue[] - union: A union of value types that can appear as elements within an ArrayValue. Identical to BenchlingValue but excludes ArrayValue to prevent nesting. Keep in sync with BenchlingValue. - object: A type that represents boolean values. - … - object: A type that represents datetime values. - … - object: A type that represents date values. - … - object: A type that represents decimal value as strings. - … - object: A type that represents integer values. - … - object: A type that represents JSON values. - … - object: A type that represents a list of links to other objects. - … - object: A type that represents links to other objects. - … - object: A type that represents text (string) values with an associated URL. - … - object: A type that represents text (string) values. - … - object: A type that represents boolean values. - `__typename` 'BooleanValue', required: Discriminator value: BooleanValue - `value` boolean: The boolean value. - object: A type that represents datetime values. - `__typename` 'DateTimeValue', required: Discriminator value: DateTimeValue - `value` string, datetime: The datetime value with UTC as the timezone. - object: A type that represents date values. - `__typename` 'DateValue', required: Discriminator value: DateValue - `value` string, date: The date value. - object: A type that represents decimal value as strings. - `__typename` 'DecimalValue', required: Discriminator value: DecimalValue - `numericValue` number, double, nullable: Deprecated. The float representation of the decimal value. - `value` string, nullable: The decimal value in a string representation - object: A type that represents integer values. - `__typename` 'IntegerValue', required: Discriminator value: IntegerValue - `value` integer: The integer value. - object: A type that represents JSON values. - `__typename` 'JsonValue', required: Discriminator value: JsonValue - `value` union: The JSON value. - object - string[] - string - number, double - boolean - object: A type that represents a list of links to other objects. - `__typename` 'ObjectLinkListValue', required: Discriminator value: ObjectLinkListValue - `value` LinkableDomainObject[]: The list of objects that this value links to. Inaccessible objects may be returned instead if the object is not found with the current permission set. - union: A union representing items that can be linked to. If you have a type that can be linked to, it can only be added once it's in beta. - object: AaSequence variant - … - object: Attachment variant - … - object: Box variant - … - object: Container variant - … - object: CustomEntity variant - … - object: DnaOligo variant - … - object: DnaSequence variant - … - object: DropdownOption variant - … - object: Entry variant - … - object: Inaccessible variant - … - object: Location variant - … - object: MatrixPlate variant - … - object: Mixture variant - … - object: Molecule variant - … - object: OligoConjugate variant - … - object: OligoDuplex variant - … - object: Protein variant - … - object: Result variant - … - object: RnaOligo variant - … - object: RnaSequence variant - … - object: WellPlate variant - … - object: A type that represents links to other objects. - `__typename` 'ObjectLinkValue', required: Discriminator value: ObjectLinkValue - `value` union: A union representing items that can be linked to. If you have a type that can be linked to, it can only be added once it's in beta. - object: AaSequence variant - `__typename` 'AaSequence', required: Discriminator value: AaSequence - `id` string, api_id - object: Attachment variant - `__typename` 'Attachment', required: Discriminator value: Attachment - `id` string, api_id - object: Box variant - `__typename` 'Box', required: Discriminator value: Box - `id` string, api_id - object: Container variant - `__typename` 'Container', required: Discriminator value: Container - `id` string, api_id - object: CustomEntity variant - `__typename` 'CustomEntity', required: Discriminator value: CustomEntity - `id` string, api_id - object: DnaOligo variant - `__typename` 'DnaOligo', required: Discriminator value: DnaOligo - `id` string, api_id - object: DnaSequence variant - `__typename` 'DnaSequence', required: Discriminator value: DnaSequence - `id` string, api_id - object: DropdownOption variant - `__typename` 'DropdownOption', required: Discriminator value: DropdownOption - `id` string, api_id - object: Entry variant - `__typename` 'Entry', required: Discriminator value: Entry - `id` string, api_id - object: Inaccessible variant - `__typename` 'Inaccessible', required: Discriminator value: Inaccessible - `id` string, api_id - object: Location variant - `__typename` 'Location', required: Discriminator value: Location - `id` string, api_id - object: MatrixPlate variant - `__typename` 'MatrixPlate', required: Discriminator value: MatrixPlate - `id` string, api_id - object: Mixture variant - `__typename` 'Mixture', required: Discriminator value: Mixture - `id` string, api_id - object: Molecule variant - `__typename` 'Molecule', required: Discriminator value: Molecule - `id` string, api_id - object: OligoConjugate variant - `__typename` 'OligoConjugate', required: Discriminator value: OligoConjugate - `id` string, api_id - object: OligoDuplex variant - `__typename` 'OligoDuplex', required: Discriminator value: OligoDuplex - `id` string, api_id - object: Protein variant - `__typename` 'Protein', required: Discriminator value: Protein - `id` string, api_id - object: Result variant - `__typename` 'Result', required: Discriminator value: Result - `id` string, api_id - object: RnaOligo variant - `__typename` 'RnaOligo', required: Discriminator value: RnaOligo - `id` string, api_id - object: RnaSequence variant - `__typename` 'RnaSequence', required: Discriminator value: RnaSequence - `id` string, api_id - object: WellPlate variant - `__typename` 'WellPlate', required: Discriminator value: WellPlate - `id` string, api_id - object: A type that represents text (string) values with an associated URL. - `__typename` string, required - `url` string: The URL associated with the value. Please use `TextValue` if you don't want a URL. - `value` string: The text value. It may or may not be an empty string. - object: A type that represents text (string) values. - `__typename` string, required - `value` string: The text value. It may or may not be an empty string. ## Other responses - `400`: Bad Request - `403`: Forbidden - `404`: Not Found - `409`: Conflict - `429`: Too Many Requests - `500`: Internal Server Error ## Changes - **2026-11-05** `3873a10bf7b8`: 1 breaking, 1 info - added `subschema #1, subschema #8, subschema #9` to the `schemaFields/items/value/oneOf[subschema #1: BenchlingValue]/` response property `oneOf` list for the response status `201` - removed `subschema #1, subschema #8, subschema #9` from the `schemaFields/items/value/oneOf[subschema #1: BenchlingValue]/` response property `oneOf` list for the response status `201` [Operation history](https://skmtc.dev/benchling/apis/benchling-api/changes/api/v3/molecule/post.md) --- [API](https://skmtc.dev/benchling/apis/benchling-api.md) - [All operations](https://skmtc.dev/benchling/apis/benchling-api/llms.txt) - [OpenAPI document](https://skmtc.dev/benchling/apis/benchling-api/revisions/3873a10bf7b8?raw)