Structure

[application/vnd.com.chemcaster.Structure+json]

A Structure represents a chemical structure. A Structure is associated with at least one Substance through a Component. Structures can only be created by creating Substances. A Structure has the following resources and attributes:

Sample Requests and Responses

Representations are transported between client and server over HTTP using media types specific to each resource. For details, see Common Behaviors.

Note: clients MUST NOT make assumptions about the layout of the URIs within the Service.

The following examples illustrate sample requests and responses.

View Structure

Synopsis

GET {URI of Structure resource}

Request Headers

Accept, Authorization

Request Message Body

N/A

Response Headers

Content-Length, Content-Type

Response Message Body

[application/vnd.com.chemcaster.Structure+json]

Response Status

200, 401, 404, 406

Example Request

GET /structures/123
Host: chemcaster.com
Authorization: Basic xxxxxxxxxxxxxxxxxxx
Accept: application/vnd.com.chemcaster.Structure+json

Example Response

HTTP/1.1 200 OK
Content-Type: application/vnd.com.chemcaster.Structure+json
Content-Length: nnn

{
  "images": {
    "name": "images for this structure",
    "media_type": "application\/vnd.com.chemcaster.Index+json",
    "uri": "https:\/\/chemcaster.com\/structures\/152\/images"
  },
  "index": {
    "name": "structure index",
    "media_type": "application\/vnd.com.chemcaster.Index+json",
    "uri": "https:\/\/chemcaster.com\/registries\/33\/structures"
  },
  "structure": {
    "serialization": "[NO NAME]\r\n  CHEMWRIT          2D\r\nCreated with ChemWriter - http:\/\/metamolecular.com\/chemwriter\r\n 24 26  0  0  0  0  0  0  0  0  0 V2000\r\n    5.1600   -5.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    6.0260   -5.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    6.8921   -5.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    6.8921   -4.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    6.0260   -3.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    5.1600   -4.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    7.7581   -5.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    8.6241   -5.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    8.6241   -4.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    7.7581   -3.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    9.4901   -3.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\r\n    7.7581   -2.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n   10.3561   -4.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n   11.2221   -3.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n   12.0881   -4.3200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\r\n    8.6241   -2.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    8.6241   -1.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n   10.3561   -5.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n   12.9541   -3.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n   12.9541   -2.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\r\n   12.0881   -2.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n   11.2221   -2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\r\n    4.2940   -5.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\r\n    4.2940   -3.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\r\n  1  2  2  0  0  0  0\r\n  2  3  1  0  0  0  0\r\n  3  4  2  0  0  0  0\r\n  4  5  1  0  0  0  0\r\n  5  6  2  0  0  0  0\r\n  6  1  1  0  0  0  0\r\n  3  7  1  0  0  0  0\r\n  7  8  2  0  0  0  0\r\n  8  9  1  0  0  0  0\r\n  9 10  2  0  0  0  0\r\n 10  4  1  0  0  0  0\r\n  9 11  1  0  0  0  0\r\n 10 12  1  0  0  0  0\r\n 11 13  1  0  0  0  0\r\n 13 14  1  0  0  0  0\r\n 14 15  2  0  0  0  0\r\n 12 16  1  0  0  0  0\r\n 16 17  1  0  0  0  0\r\n 13 18  2  0  0  0  0\r\n 15 19  1  0  0  0  0\r\n 19 20  2  0  0  0  0\r\n 20 21  1  0  0  0  0\r\n 21 22  2  0  0  0  0\r\n 22 14  1  0  0  0  0\r\n  1 23  1  0  0  0  0\r\n  6 24  1  0  0  0  0\r\nM  END",
    "inchi": "InChI=1S\/C17H16N4O3\/c1-2-24-16-11-8-15(22)12(18)7-10(11)3-4-13(16)21-17(23)14-5-6-19-9-20-14\/h3-9,22H,2,18H2,1H3,(H,21,23)"
  },
  "registry": {
    "name": "CarboBlox, Inc.",
    "media_type": "application\/vnd.com.chemcaster.Registry+json",
    "uri": "https:\/\/chemcaster.com\/registries\/33"
  },
  "components": {
    "name": "components for this structure",
    "media_type": "application\/vnd.com.chemcaster.Index+json",
    "uri": "https:\/\/chemcaster.com\/structures\/152\/components"
  }
}

This documentation is based in part on the Sun Cloud API Documentation, which was adapted under the Creative Commons Attribution 3.0 Unported License.