{ "glycoprotein": [], "number_monosaccharides": 3, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/KMRCGPSUZRGVOV-TXYBRGFCSA-N", "key": "KMRCGPSUZRGVOV-TXYBRGFCSA-N" }, "classification": [ { "subtype": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=core-1_O-glycan&jump_to_nav=true", "name": "Core 1" }, "type": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=O-glycan&jump_to_nav=true", "name": "O-linked" } } ], "mass_pme": 856.44, "names": [], "fully_determined": "yes", "keywords": [ "fully_determined" ], "wurcs": "WURCS=2.0/3,3,2/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2", "species": [], "publication": [], "subsumption": [ { "type": "topology", "id": "G85924HA", "relationship": "topology" }, { "type": "composition", "id": "G19671XU", "relationship": "composition" }, { "type": "basecomposition", "id": "G22312GP", "relationship": "basecomposition" } ], "enzyme": [], "motifs": [], "glytoucan_ac": "G02684WR", "composition": [ { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "neuac", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "hexa", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/610", "name": "Hexuronic Acid", "cid": "610" }, { "residue": "hexnac", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "dhex", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840", "name": "6-Deoxy-Hexose", "cid": "840" }, { "residue": "s", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" }, { "residue": "other", "count": 0, "name": "Other" }, { "residue": "hex", "count": 1, "url": 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"https://www.rcsb.org/structure/2x61", "id": "2x61", "database": "PDB" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=4537", "id": "4537", "database": "Glycosciences.de" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+31656", "id": "31656", "database": "CarbBank" }, { "url": "https://www.rcsb.org/structure/3rsj", "id": "3rsj", "database": "PDB" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/195235", "id": "195235", "database": "PubChem Compound" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+45104", "id": "45104", "database": "CarbBank" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+6812", "id": "6812", "database": "CarbBank" }, { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=156649", "id": "156649", "database": "ChEBI" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+41779", "id": "41779", "database": "CarbBank" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=25612", "id": "25612", "database": "Glycosciences.de" }, { "url": "https://www.glygen.org/glycan/G02684WR", "id": "G02684WR", "database": "GNOme" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+46451", "id": "46451", "database": "CarbBank" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=3219", "id": "3219", "database": "Glycosciences.de" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252280909", "id": "252280909", "database": "PubChem Substance" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=4945", "id": "4945", "database": "Glycosciences.de" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+19450", "id": "19450", "database": "CarbBank" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=8263", "id": "8263", "database": "Glycosciences.de" }, { "url": "http://www.functionalglycomics.org/glycomics/CarbohydrateServlet?pageType=view&view=view&operationType=view&carbId=carbOlink_20576_D000", "id": "carbOlink_20576_D000", "database": "CFG" }, { "url": "https://glytoucan.org/Structures/Glycans/G02684WR", "id": "G02684WR", "database": "GlyTouCan" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+9120", "id": "9120", "database": "CarbBank" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+36235", "id": "36235", "database": "CarbBank" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+22752", "id": "22752", "database": "CarbBank" } ], "tool_support": { "sandbox": "no", "gnome": "yes" }, "glycoct": "RES 1b:b-dgal-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 5s:n-acetyl LIN 1:1d(2+1)2n 2:1o(3+1)3d 3:3o(3+2)4d 4:4d(5+1)5n", "iupac": "alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->", "smiles_isomeric": "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", "mass": 674.24, "expression": [] }