{ "bcoid": "GLY_000296", "title": "Glycan Xref ChEBI [PubChem CID]", "description": "The dataset provides cross-references to ChEBI Id's for the associated glycan (GlyTouCan Accession) based ...", "filename": "glycan_xref_chebi.csv", "filetype": "csv", "categories": { "molecule": "Glycan", "tags": "ChEBI cross-references(PUBCHEM CID)", "status": "Reviewed", "file_type": "csv", "scope": "internal" }, "minitable": { "content": [ [ "G31080DL...", "47013..." ], [ "G15021LG...", "4167..." ] ], "headers": [ "glytoucan_ac...", "database_id..." ], "colwidth": [ "40%", "20%" ] }, "sampledata": { "type": "table", "data": [ [ { "type": "string", "label": "glytoucan_ac" }, { "type": "string", "label": "database_id" }, { "type": "string", "label": "database_label" } ], [ "G31080DL", "47013", "ChEBI" ], [ "G15021LG", "4167", "ChEBI" ], [ "G03144EF", "28518", "ChEBI" ], [ "G68158BT", "4139", "ChEBI" ], [ "G84224TW", "36218", "ChEBI" ], [ "G91625IP", "46994", "ChEBI" ], [ "G55954SF", "61827", "ChEBI" ], [ "G82576YO", "2181", "ChEBI" ], [ "G70323CJ", "4208", "ChEBI" ], [ "G49108TO", "28009", "ChEBI" ], [ "G27025MB", "28037", "ChEBI" ], [ "G71142DF", "15903", "ChEBI" ], [ "G88438YV", "16789", "ChEBI" ], [ "G16391NR", "46983", "ChEBI" ], [ "G58161NS", "17925", "ChEBI" ], [ "G38427JR", "37701", "ChEBI" ], [ "G69182II", "37681", "ChEBI" ], [ "G68544GH", "44278", "ChEBI" ], [ "G57321FI", "40356", "ChEBI" ], [ "G88362QR", "36219", "ChEBI" ], [ "G36445ON", "37617", "ChEBI" ], [ "G06080FF", "86058", "ChEBI" ], [ "G23537ZN", "47015", "ChEBI" ], [ "G64863OF", "28385", "ChEBI" ], [ "G41915IH", "17979", "ChEBI" ], [ "G91689SS", "68461", "ChEBI" ], [ "G64134SS", "40822", "ChEBI" ], [ "G59743JO", "42758", "ChEBI" ], [ "G97146EI", "28014", "ChEBI" ], [ "G14987PW", "37746", "ChEBI" ], [ "G35674CY", "64024", "ChEBI" ], [ "G73578JC", "17725", "ChEBI" ], [ "G16579HJ", "28161", "ChEBI" ], [ "G06000DZ", "60948", "ChEBI" ], [ "G53308XG", "53455", "ChEBI" ], [ "G19038KD", "25164", "ChEBI" ], [ "G26039ES", "75323", "ChEBI" ], [ "G95531HX", "37675", "ChEBI" ], [ "G89565QL", "75278", "ChEBI" ], [ "G61406KC", "53480", "ChEBI" ], [ "G79319EQ", "37695", "ChEBI" ], [ "G61491DK", "28729", "ChEBI" ], [ "G96370VA", "27931", "ChEBI" ], [ "G48558GR", "59208", "ChEBI" ], [ "G46776WR", "71604", "ChEBI" ], [ "G80126GC", "71432", "ChEBI" ], [ "G64581RP", "506227", "ChEBI" ], [ "G88980IR", "17535", "ChEBI" ], [ "G81533KY", "17012", "ChEBI" ], [ "G80384UV", "47977", "ChEBI" ], [ "G84489FR", "82838", "ChEBI" ], [ "G00055MO", "16153", "ChEBI" ], [ "G29494LA", "63153", "ChEBI" ], [ "G42666HT", "50670", "ChEBI" ], [ "G65889KE", "27667", "ChEBI" ], [ "G09546QO", "28061", "ChEBI" ], [ "G74407MX", "4093", "ChEBI" ], [ "G32319HH", "62321", "ChEBI" ], [ "G14001GU", "59275", "ChEBI" ], [ "G42865BX", "16177", "ChEBI" ], [ "G07982RO", "28681", "ChEBI" ], [ "G20386CD", "63152", "ChEBI" ], [ "G96881BQ", "42548", "ChEBI" ], [ "G77384RA", "62357", "ChEBI" ], [ "G61899YO", "42905", "ChEBI" ], [ "G65718MY", "62974", "ChEBI" ], [ "G82562YG", "27442", "ChEBI" ], [ "G26478JK", "28543", "ChEBI" ], [ "G74840NI", "28563", "ChEBI" ], [ "G38999IM", "27907", "ChEBI" ], [ "G51535NO", "27586", "ChEBI" ], [ "G27752QD", "46987", "ChEBI" ], [ "G99739TG", "145646", "ChEBI" ], [ "G86614XL", "40886", "ChEBI" ], [ "G01534TU", "61243", "ChEBI" ], [ "G03499BP", "62327", "ChEBI" ], [ "G61418DU", "28497", "ChEBI" ], [ "G09165XB", "28053", "ChEBI" ], [ "G37615KF", "6178", "ChEBI" ], [ "G14338VK", "41753", "ChEBI" ], [ "G45827GY", "30248", "ChEBI" ], [ "G04616ST", "27707", "ChEBI" ], [ "G74621DY", "17716", "ChEBI" ], [ "G14783GG", "4191", "ChEBI" ] ] }, "readme": "Name\n - Glycan Xref ChEBI [PubChem CID]\n\nVersion\n - 1.5.18\n\nCreated on\n - 2019-11-13T16:58:52.830892\n\nModified on\n - 2020-03-16T13:37:06.396323\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 cross-references to ChEBI Id's for the associated glycan (GlyTouCan Accession) based on the GlyTouCan to PubChem CID mapping . One-to-many PubChem CID to ChEBI mappings are resolved using InChI seqences downloaded from both (PubChem CID and ChEBI) databases. The listed GlyTouCan Accessions are derived from the GlyTouCan accession master list (https://data.glygen.org/GLYDS000281). Source database: https://glytoucan.org/; https://pubchem.ncbi.nlm.nih.gov/;https://www.ebi.ac.uk/chebi/\n\nDescription Domain\n Keywords\n - Glycan\n - GlyTouCan Accession\n - ChEBI (PubChem CID)\n - Cross-references\n - ID/Accession Mapping\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 PubChem CID to ChEBI ID mapping from the PubChem FTP download file.certain one-to-many PubChem to ChEBI mappings were resolved by matching the InCHI sequences associated with PubChem CID and ChEBI ID from respective databases.\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-Synonym-filtered_2020_03_16_12_29_45.gz\n URI: https://data.glygen.org/ln2wwwdata/source/CID-Synonym-filtered_2020_03_16_12_29_45.gz\n Name: glycan_sequences_inchi.csv\n URI: http://data.glygen.org/ln2wwwdata/reviewed/glycan_sequences_inchi.csv\n Name: chebiId_inchi_2020_03_16_12_41_40.tsv\n URI: https://data.glygen.org/ln2wwwdata/source/chebiId_inchi_2020_03_16_12_41_40.tsv\n Output Subdomain\n Name: glycan_xref_chebi.csv\n URI: http://data.glygen.org/ln2wwwdata/reviewed/glycan_xref_chebi.csv\n Name: glycan_xref_chebi.stat.csv\n URI: http://data.glygen.org/ln2wwwdata/reviewed/glycan_xref_chebi.stat.csv\n\nFields\n Name: \"database_id\"\n Description: \"Identifier in the database\"\n Unique Values: \"772\"\n Name: \"glytoucan_ac\"\n Description: \"Unique accession assigned to the registered glycan structure in GlyTouCan database\"\n Unique Values: \"771\"\n Name: \"database_label\"\n Description: \"Label or name assigned to the corresponding identifier in the source database\"\n Unique Values: \"1\"", "downloadurl": "/ln2data/releases/data/v-1.5.18/reviewed/glycan_xref_chebi.csv" }