{
    "bcoid": "GLY_000291",
    "title": "Glycan Sequences SMILES Isomeric",
    "description": "The dataset provides the glycan sequences in SMILES Isomeric format for the associated glycans (GlyTouCan ...",
    "filename": "glycan_sequences_smiles_isomeric.csv",
    "filetype": "csv",
    "categories": {
        "molecule": "Glycan",
        "tags": "SMILES Isomeric sequence format",
        "status": "Reviewed",
        "file_type": "csv",
        "scope": "internal"
    },
    "minitable": {
        "content": [
            [
                "G31080DL...",
                "5779..."
            ],
            [
                "G15021LG...",
                "5793..."
            ]
        ],
        "headers": [
            "glytoucan_ac...",
            "pubchem_id..."
        ],
        "colwidth": [
            "40%",
            "20%"
        ]
    },
    "sampledata": {
        "type": "table",
        "data": [
            [
                {
                    "type": "string",
                    "label": "glytoucan_ac"
                },
                {
                    "type": "string",
                    "label": "pubchem_id"
                },
                {
                    "type": "string",
                    "label": "sequence_smiles_isomeric"
                }
            ],
            [
                "G31080DL",
                "5779",
                "C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O"
            ],
            [
                "G15021LG",
                "5793",
                "C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O"
            ],
            [
                "G03144EF",
                "6027",
                "C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O"
            ],
            [
                "G68158BT",
                "6036",
                "C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O"
            ],
            [
                "G84224TW",
                "6134",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O"
            ],
            [
                "G91625IP",
                "6902",
                "C1[C@H]([C@H]([C@@H](C(O1)O)O)O)O"
            ],
            [
                "G55954SF",
                "11458",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O)O"
            ],
            [
                "G82576YO",
                "17106",
                "C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O"
            ],
            [
                "G70323CJ",
                "18950",
                "C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O"
            ],
            [
                "G49108TO",
                "24139",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O"
            ],
            [
                "G30216ZQ",
                "24777",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O"
            ],
            [
                "G27025MB",
                "35717",
                "CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O"
            ],
            [
                "G09583ED",
                "37723",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)O"
            ],
            [
                "G71142DF",
                "64689",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O"
            ],
            [
                "G88438YV",
                "65550",
                "C([C@H]([C@@H]([C@@H](C=O)O)O)O)O"
            ],
            [
                "G16391NR",
                "66308",
                "C([C@H]([C@H]([C@@H](C=O)O)O)O)O"
            ],
            [
                "G58161NS",
                "79025",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O"
            ],
            [
                "G38427JR",
                "80127",
                "C([C@@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G56354FT",
                "81696",
                "C([C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O"
            ],
            [
                "G69182II",
                "82308",
                "C([C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G68544GH",
                "82313",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O"
            ],
            [
                "G57321FI",
                "84265",
                "CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O"
            ],
            [
                "G88362QR",
                "84571",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O"
            ],
            [
                "G36445ON",
                "84996",
                "C([C@@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G41158BG",
                "88735",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O"
            ],
            [
                "G06080FF",
                "90173",
                "C([C@@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G23537ZN",
                "90428",
                "C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O"
            ],
            [
                "G67036DM",
                "94169",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O)O)O)O"
            ],
            [
                "G64863OF",
                "94780",
                "C([C@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G41915IH",
                "95259",
                "C([C@@H]([C@H]([C@@H](C=O)O)O)O)O"
            ],
            [
                "G91689SS",
                "99459",
                "C([C@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G12969NX",
                "102190",
                "C([C@@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G64134SS",
                "102288",
                "C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G59743JO",
                "107526",
                "C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G55420MQ",
                "111112",
                "C([C@@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G97146EI",
                "111123",
                "C([C@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G14987PW",
                "111317",
                "C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G35674CY",
                "113417",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O"
            ],
            [
                "G73578JC",
                "125128",
                "CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O"
            ],
            [
                "G16579HJ",
                "125409",
                "C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O"
            ],
            [
                "G84702VT",
                "132829",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)CO)O)O"
            ],
            [
                "G06000DZ",
                "133474",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O"
            ],
            [
                "G53308XG",
                "135191",
                "C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O"
            ],
            [
                "G19038KD",
                "152109",
                "C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@H]([C@H]2O)O)O)CO)O)O)O)O"
            ],
            [
                "G26039ES",
                "157355",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O"
            ],
            [
                "G61776FU",
                "160514",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O"
            ],
            [
                "G15704AX",
                "161460",
                "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O"
            ],
            [
                "G95531HX",
                "161658",
                "C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O"
            ],
            [
                "G89565QL",
                "165206",
                "CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O"
            ],
            [
                "G61406KC",
                "165880",
                "CC(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](CO)O)O)O"
            ],
            [
                "G79319EQ",
                "167792",
                "C([C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O"
            ],
            [
                "G61491DK",
                "185698",
                "C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O"
            ],
            [
                "G82236PZ",
                "191579",
                "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O)NC(=O)C)O)O)O"
            ],
            [
                "G06171TF",
                "192435",
                "C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O"
            ],
            [
                "G96370VA",
                "192826",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O"
            ],
            [
                "G28497SE",
                "193395",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCC(CO)O)O)O)O)O"
            ],
            [
                "G55147XG",
                "193406",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)CO)CO)O)O)O)O"
            ],
            [
                "G72725CZ",
                "193531",
                "CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O"
            ],
            [
                "G02684WR",
                "195235",
                "CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)O"
            ],
            [
                "G14023WK",
                "195923",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@H](CO)O)[C@H]([C@@H](CO)O)O)CO)O)O"
            ],
            [
                "G69538FB",
                "196407",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O)CO)O)CO)O)O"
            ],
            [
                "G48558GR",
                "196569",
                "CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)CO)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)O)O"
            ],
            [
                "G68491QD",
                "196597",
                "CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O"
            ],
            [
                "G46776WR",
                "196912",
                "CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O)NC(=O)C)CO)O)O"
            ],
            [
                "G80126GC",
                "197508",
                "C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O"
            ],
            [
                "G64581RP",
                "439174",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O"
            ],
            [
                "G99991IU",
                "439177",
                "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O"
            ],
            [
                "G88980IR",
                "439195",
                "C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O"
            ],
            [
                "G81533KY",
                "439197",
                "CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O"
            ],
            [
                "G80384UV",
                "439213",
                "C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O"
            ],
            [
                "G84489FR",
                "439240",
                "C1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O"
            ],
            [
                "G00055MO",
                "439271",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O"
            ],
            [
                "G29494LA",
                "439281",
                "CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O"
            ],
            [
                "G42666HT",
                "439326",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O"
            ],
            [
                "G65889KE",
                "439353",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O"
            ],
            [
                "G09546QO",
                "439357",
                "C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O"
            ],
            [
                "G74407MX",
                "439507",
                "C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O"
            ],
            [
                "G32319HH",
                "439508",
                "C1[C@@H]([C@H]([C@H](C(O1)O)O)O)O"
            ],
            [
                "G14001GU",
                "439509",
                "C1[C@@H]([C@H]([C@@H](C(O1)O)O)O)O"
            ],
            [
                "G42865BX",
                "439537",
                "C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O"
            ],
            [
                "G07982RO",
                "439544",
                "CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O"
            ],
            [
                "G20386CD",
                "439548",
                "C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O"
            ],
            [
                "G96881BQ",
                "439554",
                "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O"
            ],
            [
                "G77384RA",
                "439557",
                "C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O)O"
            ]
        ]
    },
    "readme": "Name\n   - Glycan Sequences SMILES Isomeric\n\nVersion\n   - 1.7.10\n\nCreated on\n  - 2019-11-13T16:37:56.677676\n\nModified on\n   - 2020-05-01T16:34:08.669990\n\nCreated by\n   - Rahi Navelkar [rsn13@gwu.edu], Jeet Vora [jeetvora@gwu.edu], Robel Kahsay [rykahsay@gwu.edu]\n\nAuthors\n   - \n\nChecksum\n   - \n\nUsability Domain\n   - The dataset provides the 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). Source database: https://pubchem.ncbi.nlm.nih.gov/; https://glytoucan.org/\n\nDescription Domain\n   Keywords\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\n\nExecution Domain\n   Scripts   - https://github.com/GW-HIVE/glygen-backend-integration/blob/master/pipeline/integrator/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: CID-SMILES_2020_04_29_15_19_03.gz\n      URI: https://data.glygen.org/ln2wwwdata/source/CID-SMILES_2020_04_29_15_19_03.gz\n   Output Subdomain\n      Name: glycan_sequences_smiles_isomeric.csv\n      URI: http://data.glygen.org/ln2wwwdata/reviewed/glycan_sequences_smiles_isomeric.csv\n      Name: glycan_sequences_smiles_isomeric.stat.csv\n      URI: http://data.glygen.org/ln2wwwdata/reviewed/glycan_sequences_smiles_isomeric.stat.csv\n\nFields\n      Name: \"glytoucan_ac\"\n     Description: \"Unique accession assigned to the registered glycan structure in GlyTouCan database\"\n      Unique Values: \"9538\"\n      Name: \"pubchem_id\"\n     Description: \"PubChem Substance and Compound database identifier\"\n      Unique Values: \"9538\"\n      Name: \"sequence_smiles_isomeric\"\n     Description: \"Glycan sequence in an SMILES isomeric format\"\n      Unique Values: \"9538\"",
    "downloadurl": "/ln2data/releases/data/v-1.7.10/reviewed/glycan_sequences_smiles_isomeric.csv"
}