{ "glytoucan_ac": "G56045WU", "number_monosaccharides": 6, "mass": 1113.41, "mass_pme": 1393.72, "fully_determined": "yes", "iupac": "beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->", "wurcs": "WURCS=2.0/2,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-1-2-1-2/a4-b1_b3-c1_b6-e1_c4-d1_e4-f1", "glycoct": "RES 1b:b-dglc-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:b-dglc-HEX-1:5 5s:n-acetyl 6b:b-dgal-HEX-1:5 7b:b-dglc-HEX-1:5 8s:n-acetyl 9b:b-dgal-HEX-1:5 LIN 1:1d(2+1)2n 2:1o(4+1)3d 3:3o(3+1)4d 4:4d(2+1)5n 5:4o(4+1)6d 6:3o(6+1)7d 7:7d(2+1)8n 8:7o(4+1)9d", "inchi": "InChI=1S/C42H71N3O31/c1-10(51)43-19-25(57)33(15(6-48)67-37(19)65)75-42-32(64)36(76-39-21(45-12(3)53)27(59)35(17(8-50)71-39)74-41-31(63)29(61)23(55)14(5-47)69-41)24(56)18(72-42)9-66-38-20(44-11(2)52)26(58)34(16(7-49)70-38)73-40-30(62)28(60)22(54)13(4-46)68-40/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+/m1/s1", "glycam": "DGalpb1-4DGlcpNAcb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpb1-4DGlcpNAcb1-OH", "smiles_isomeric": "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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O", "inchi_key": { "key": "IQQCFGGKWQNBRR-PGXNZONHSA-N", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/IQQCFGGKWQNBRR-PGXNZONHSA-N" }, "crossref": [ { "id": "G56045WU", "database": "GlyTouCan", "url": "https://glytoucan.org/Structures/Glycans/G56045WU", "categories": [ "Glycomics" ] }, { "id": "GSD000112", "url": "https://wiki.glygen.org/Glycan_structure_dictionary#GSD000112", "database": "Glycan Structure Dictionary", "categories": [ "Ontology and Dictionary" ] } ], "publication": [ { "title": "Three types of blood group I specificity among monoclonal anti-I autoantibodies revealed by analogues of a branched erythrocyte glycolipid.", "journal": "The Journal of experimental medicine", "date": "1979", "authors": "Feizi T, Childs RA, Watanabe K, Hakomori SI", "evidence": [ { "database": "Glycan Motif", "id": "GGM.000003", "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000003" } ], "reference": [ { "type": "PubMed", "id": "429966", "url": "https://glygen.org/publication/PubMed/429966" } ] }, { "title": "The repertoire of glycan determinants in the human glycome.", "journal": "Molecular bioSystems", "date": "2009", "authors": "Cummings RD", "evidence": [ { "database": "Glycan Motif", "id": "GGM.000003", "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000003" } ], "reference": [ { "type": "PubMed", "id": "19756298", "url": "https://glygen.org/publication/PubMed/19756298" } ] } ], "residues": [], "composition": [ { "name": "6-Deoxy-Hexose", "residue": "dhex", "count": 0, "cid": "840", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840" }, { "name": "Hexose", "residue": "hex", "count": 3, "cid": "206", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206" }, { "name": "N-Acetylhexosamine", "residue": "hexnac", "count": 3, "cid": "899", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899" }, { "name": "Hexuronic Acid", "residue": "hexa", "count": 0, "cid": "610", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/610" }, { "name": "2-Amino-2-Deoxy-Hexose", "residue": "hexn", "count": 0, "cid": "739", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739" }, { "name": "N-Acetyl-Neuraminic Acid", "residue": "neuac", "count": 0, "cid": "439197", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197" }, { "name": "N-Glycolyl-Neuraminic Acid", "residue": "neugc", "count": 0, "cid": "440001", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001" }, { "name": "Phosphate", "residue": "p", "count": 0, "cid": "1061", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061" }, { "name": "Pentose", "residue": "pent", "count": 0, "cid": "229", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/229" }, { "name": "Sulfate", "residue": "s", "count": 0, "cid": "1117", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117" }, { "name": "Other", "residue": "other", "count": 0 } ], "composition_expanded": [ { "name": "Alditol", "residue": "aldi", "count": 0 }, { "name": "6-Deoxy-Hexose", "residue": "dhex", "count": 0, "cid": "840", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840" }, { "name": "6-Deoxy-Hexitol", "residue": "dhex+aldi", "count": 0 }, { "name": "L-Fucose", "residue": "fuc", "count": 0, 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"glytoucan_ac": "G99950OD", "url": "https://glytoucan.org/Structures/Glycans/G99950OD" } ], "subsumption": [ { "id": "G02783FI", "type": "Topology" }, { "id": "G04856GF", "type": "Topology" }, { "id": "G12018LP", "type": "Saccharide" }, { "id": "G13133GZ", "type": "Saccharide" }, { "id": "G19432GA", "type": "Saccharide" }, { "id": "G23814WK", "type": "Saccharide" }, { "id": "G25768YR", "type": "Topology" }, { "id": "G30558XQ", "type": "Saccharide" }, { "id": "G57317CE", "type": "BaseComposition" }, { "id": "G58279ES", "type": "Saccharide" }, { "id": "G60145BJ", "type": "BaseComposition" }, { "id": "G79362WA", "type": "Saccharide" }, { "id": "G88984YM", "type": "Topology" }, { "id": "G91434EO", "type": "Saccharide" }, { "id": "G92120IY", "type": "Composition" }, { "id": "G96238FJ", "type": "Saccharide" } ], "names": [ { "name": "I antigen", "domain": "motifname" } ], "synonym": [], "keywords": [], "reducing_end": "false", "aglycon": "R", "alignment_method": "Substructure", "dictionary": { "term": "I antigen", "term_in_sentence": "The I antigen is formed by the action of an enzyme (a glycosyltransferase), which adds branches onto the i antigen.[PMID:15679458]", "publication": "15679458|21912254|30705292|33403394|6715951|12468428|6088627|6159787", "definition": "N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151390) is a amino sugar.[CHEBI:151390]", "term_xref": "GlycoMotif:GGM.000003|GlycoEpitope:EP0138|GTC:G56045WU|CID:91852915|CHEBI:151390", "synonymns": [ "" ], "function": "", "disease_associations": "", "wikipedia": "", "essentials_of_glycobiology": "Chapter 9", "evidence": [ { "id": "GSD000112", "url": "https://wiki.glygen.org/Glycan_structure_dictionary#GSD000112", "database": "Glycan Structure Dictionary" } ] }, "biomarkers": [], "motif_ac": "GGM.000003", "section_stats": [ { "table_id": "results", "table_stats": [ { "field": "total", "count": 777 } ], "sort_fields": [ "glytoucan_ac", "url" ] } ] }