{
    "bcoid": "GLY_001526",
    "title": "UniChem Glycan Linkouts",
    "description": "The UniChem Glycan Linkouts dataset contains glycan sequences in SMILES Isomeric format for the associated ...",
    "filename_list": "glycan_unichem_linkout.tsv",
    "filename": "glycan_unichem_linkout.tsv",
    "filetype": "tsv",
    "categories": {
        "molecule": [
            "Glycan"
        ],
        "tag": [
            "UniChem glycan linkouts"
        ],
        "status": [
            "Reviewed"
        ],
        "file_type": [
            "tsv"
        ],
        "scope": [
            "internal"
        ],
        "species": [
            "Homo sapiens",
            "Mus musculus",
            "Rattus norvegicus",
            "Rattus",
            "Saccharomyces cerevisiae",
            "Drosophila melanogaster",
            "Severe acute respiratory syndrome coronavirus 2",
            "Dictyostelium discoideum",
            "Sus scrofa",
            "Sus scrofa domesticus"
        ],
        "file_category": [
            "others"
        ]
    },
    "minitable": {
        "content": [
            [
                "C(C1C(C(C(C(...",
                "G23980IF..."
            ],
            [
                "C(C1C(C(C(C(...",
                "G38776RF..."
            ]
        ],
        "headers": [
            "smiles...",
            "compound_id..."
        ],
        "colwidth": [
            "40%",
            "20%"
        ]
    },
    "sampledata": {
        "type": "table",
        "data": [
            [
                {
                    "type": "string",
                    "label": "smiles"
                },
                {
                    "type": "string",
                    "label": "compound_id"
                }
            ],
            [
                "C(C1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O",
                "G23980IF"
            ],
            [
                "C(C1C(C(C(C(O1)O)O)O)O)O",
                "G38776RF"
            ]
        ]
    },
    "readme": "Name\n   - UniChem Glycan Linkouts\n\nVersion\n   - v-2.12.1\n\nModified on\n   - 2026-03-03T12:09:03.539Z\n\nCreated by\n   - Jeet Vora [jeetvora@gwu.edu], Robel Kahsay [rykahsay@gwu.edu], Urnisha Bhuiyan [sbhuiyan28@email.gwu.edu], Kate Warner [k.warner1@gwu.edu]\n\nAuthors\n   - \n\nChecksum\n   - \n\nUsability Domain\n   - The UniChem Glycan Linkouts dataset contains glycan sequences in SMILES Isomeric format for the associated glycans (GlyTouCan Accession) based on the GlyTouCan to PubChem CID mapping. The listed GlyTouCan Accessions are derived from the GlyTouCan accession master list (https://data.glygen.org/GLYDS000281). The dataset is formatted as per the UniChem submission guidelines.\n\nDescription Domain\n   Keywords\n   - UniChem Glycan Linkouts\n   - UniChem\n   - Glycan\n   - GlyTouCan Accession\n   - SMILES Isomeric\n\n   Pipeline Steps\n   - Step-1: A python script was generated to use the GlyTouCan Ac. to PubChem CID mapping file to extract the SMILES ISOMERIC sequence data from downloaded file from PubChem FTP. The script also formats the dataset as defined by the UniChem guidelines to generate a tsv dataset.\n\nExecution Domain\n   Scripts   - https://github.com/glygener/glygen-backend-integration/blob/master/dataset-maker/make-species-agnostic-dataset.py\n\n\n   Software Prerequisites\n      Name: Python\n      Version: 2.7.5\n      URI: https://www.python.org/download/releases/2.7.5/\n\nI/O Domain\n   Input Subdomain\n      Name: glycan_sequences_smiles_isomeric.csv\n      URI: https:/data.glygen.org/ln2releases/data/v-2.12.1/reviewed/glycan_sequences_smiles_isomeric.csv\n   Output Subdomain\n      Name: glycan_unichem_linkout.tsv\n      URI: https:/data.glygen.org/ln2releases/data/v-2.12.1/reviewed/glycan_unichem_linkout.tsv\n      Name: glycan_unichem_linkout.stat.csv\n      URI: https:/data.glygen.org/ln2releases/data/v-2.12.1/reviewed/glycan_unichem_linkout.stat.csv\n\nFields\n      Name: \"miles\"\n     Description: \"\"\n      Unique Values: \"15788\"",
    "downloadurl": "/ln2data/releases/data/v-2.12.1/reviewed/glycan_unichem_linkout.tsv"
}