{ "number_monosaccharides": 7, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/ITEBVQSHWQDMGY-VRBWGXTOSA-N", "key": "ITEBVQSHWQDMGY-VRBWGXTOSA-N" }, "glycans": [ { "url": "https://glytoucan.org/Structures/Glycans/G41994UJ", "glytoucan_ac": "G41994UJ" }, { "url": "https://glytoucan.org/Structures/Glycans/G44060QH", "glytoucan_ac": "G44060QH" }, { "url": "https://glytoucan.org/Structures/Glycans/G51661GQ", "glytoucan_ac": "G51661GQ" }, { "url": "https://glytoucan.org/Structures/Glycans/G32165MO", "glytoucan_ac": "G32165MO" }, { "url": "https://glytoucan.org/Structures/Glycans/G61404CI", "glytoucan_ac": "G61404CI" }, { "url": "https://glytoucan.org/Structures/Glycans/G20578GS", "glytoucan_ac": "G20578GS" }, { "url": "https://glytoucan.org/Structures/Glycans/G25554YF", "glytoucan_ac": "G25554YF" } ], "smiles_isomeric": "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)O)NC(=O)C)CO)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)NC(=O)C)O)O)O", "mass_pme": 1537.8, "names": [ { "domain": "motifname", "name": "Blood group A1 (type 3)" } ], "fully_determined": "yes", "keywords": [ { "url": "https://glycomotif.glyomics.org/glycomotif/Blood_group_type_3", "label": "Blood group type 3" }, { "url": "https://glycomotif.glyomics.org/glycomotif/Blood_group_A", "label": "Blood group A" } ], "wurcs": "WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-2-3-4/a4-b1_b2-c1_b3-d1_d3-e1_e2-f1_e3-g1", "publication": [ { "reference": [ { "url": "https://www.ncbi.nlm.nih.gov/pubmed/19756298", "type": [ "PubMed" ], "id": "19756298" } ], "title": "The repertoire of glycan determinants in the human glycome.", "journal": "Molecular bioSystems", "evidence": [ { "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000040", "id": "GGM.000040", "database": "Glycan Motif" } ], "authors": "Cummings RD", "date": "2009" }, { "reference": [ { "url": "https://www.ncbi.nlm.nih.gov/pubmed/2579390", "type": [ "PubMed" ], "id": "2579390" } ], "title": "Repetitive A epitope (type 3 chain A) defined by blood group A1-specific monoclonal antibody TH-1: chemical basis of qualitative A1 and A2 distinction.", "journal": "Proceedings of the National Academy of Sciences of the United States of America", "evidence": [ { "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000040", "id": "GGM.000040", "database": "Glycan Motif" } ], "authors": "Clausen H, Levery SB, Nudelman E, Tsuchiya S, Hakomori S", "date": "1985" } ], "subsumption": [ { "type": "Composition", "id": "G18584GV" }, { "type": "BaseComposition", "id": "G61099GA" }, { "type": "Topology", "id": "G48997MK" }, { "type": "Composition", "id": "G88555AB" }, { "type": "Composition", "id": "G78619MP" }, { "type": "Saccharide", "id": "G03986GH" } ], "motif_ac": "GGM.000040", "glytoucan_ac": "G44060QH", "composition": [ { "residue": "other", "count": 0, "name": "Other" }, { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" }, { "residue": "hexnac", "count": 3, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "dhex", "count": 2, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840", "name": "6-Deoxy-Hexose", "cid": "840" }, { "residue": "hexa", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/610", "name": "Hexuronic Acid", "cid": "610" }, { "residue": "neugc", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001", "name": "N-Glycolyl-Neuraminic Acid", "cid": "440001" }, { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "hex", "count": 2, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "s", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" }, { "residue": "neuac", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" } ], "alignment_method": "Substructure", "residues": [], "glycam": "DGalpNAca1-3[LFucpa1-2]DGalpb1-3DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-", "inchi": "InChI=1S/C48H81N3O34/c1-11-24(60)32(68)34(70)45(73-11)84-40-39(29(65)18(8-54)78-47(40)80-36-20(10-56)75-42(72)21(31(36)67)49-13(3)57)83-44-23(51-15(5)59)37(27(63)17(7-53)77-44)81-48-41(85-46-35(71)33(69)25(61)12(2)74-46)38(28(64)19(9-55)79-48)82-43-22(50-14(4)58)30(66)26(62)16(6-52)76-43/h11-12,16-48,52-56,60-72H,6-10H2,1-5H3,(H,49,57)(H,50,58)(H,51,59)/t11-,12-,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+,43+,44+,45-,46-,47-,48-/m0/s1", "crossref": [ { "url": "https://glytoucan.org/Structures/Glycans/G44060QH", "id": "G44060QH", "database": "GlyTouCan" } ], "synonym": [], "reducing_end": "false", "glycoct": "RES 1b:b-dglc-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:a-lgal-HEX-1:5|6:d 5b:a-dgal-HEX-1:5 6s:n-acetyl 7b:b-dgal-HEX-1:5 8b:a-lgal-HEX-1:5|6:d 9b:a-dgal-HEX-1:5 10s:n-acetyl LIN 1:1d(2+1)2n 2:1o(4+1)3d 3:3o(2+1)4d 4:3o(3+1)5d 5:5d(2+1)6n 6:5o(3+1)7d 7:7o(2+1)8d 8:7o(3+1)9d 9:9d(2+1)10n", "iupac": "alpha-D-GalpNAc-(1->3)[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->", "aglycon": "R", "mass": 1243.47 }