{ "number_monosaccharides": 8, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/VJQBJQYSVMPEOJ-UUEDUGPRSA-N", "key": "VJQBJQYSVMPEOJ-UUEDUGPRSA-N" }, "glycans": [ { "url": "https://glytoucan.org/Structures/Glycans/G99524KA", "glytoucan_ac": "G99524KA" } ], "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[C@H]4[C@H](O[C@H]([C@@H]([C@H]4O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)O[C@@H]8[C@H](O[C@H]([C@@H]([C@H]8O)O)O)CO)CO)NC(=O)C)CO)O)O", "mass_pme": 2348.16, "names": [ { "domain": "Semantic Name", "name": "GQ1c" }, { "domain": "motifname", "name": "GQ1c" } ], "fully_determined": "yes", "keywords": [ { "url": "https://glycomotif.glyomics.org/glycomotif/Glycolipid", "label": "Glycolipid" }, { "url": "https://glycomotif.glyomics.org/glycomotif/Tetrasialylated_ganglioside", "label": "Tetrasialylated ganglioside" } ], "wurcs": "WURCS=2.0/4,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2-3/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1_g3-h2", "publication": [ { "reference": [ { "url": "https://www.ncbi.nlm.nih.gov/pubmed/6640289", "type": [ "PubMed" ], "id": "6640289" } ], "title": "The monoclonal antibody A2B5 is specific to ganglioside GQ1c.", "journal": "Brain research", "evidence": [ { "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000117", "id": "GGM.000117", "database": "Glycan Motif" } ], "authors": "Kasai N, Yu RK", "date": "1983" }, { "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.000117", "id": "GGM.000117", "database": "Glycan Motif" } ], "authors": "Cummings RD", "date": "2009" } ], "subsumption": [ { "type": "BaseComposition", "id": "G15240ZB" }, { "type": "Topology", "id": "G17782JG" }, { "type": "Composition", "id": "G25511ES" }, { "type": "Saccharide", "id": "G54442GQ" }, { "type": "Saccharide", "id": "G54434YJ" }, { "type": "Topology", "id": "G25045TC" }, { "type": "Composition", "id": "G73885NP" }, { "type": "Topology", "id": "G26854TY" }, { "type": "Composition", "id": "G16201EW" } ], "motif_ac": "GGM.000117", "glytoucan_ac": "G99524KA", "composition": [ { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "neugc", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001", "name": "N-Glycolyl-Neuraminic Acid", "cid": "440001" }, { "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": "other", "count": 0, "name": "Other" }, { "residue": "dhex", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840", "name": "6-Deoxy-Hexose", "cid": "840" }, { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" }, { "residue": "neuac", "count": 4, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "hex", "count": 3, "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" } ], "alignment_method": "Whole-Glycan", "residues": [], "glycam": "DNeup5Aca2-8DNeup5Aca2-8DNeup5Aca2-3[DNeup5Aca2-3DGalpb1-3DGalpNAcb1-4]DGalpb1-4DGlcpb1-", "inchi": "InChI=1S/C70H113N5O53/c1-18(84)71-35-23(89)6-67(63(106)107,123-53(35)40(95)27(93)10-76)121-31(14-80)44(99)55-37(73-20(3)86)24(90)7-68(125-55,64(108)109)122-32(15-81)45(100)56-38(74-21(4)87)26(92)9-70(126-56,66(112)113)128-58-49(104)62(118-50-33(16-82)114-59(105)47(102)46(50)101)117-34(17-83)51(58)119-60-39(75-22(5)88)52(42(97)29(12-78)115-60)120-61-48(103)57(43(98)30(13-79)116-61)127-69(65(110)111)8-25(91)36(72-19(2)85)54(124-69)41(96)28(94)11-77/h23-62,76-83,89-105H,6-17H2,1-5H3,(H,71,84)(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/t23-,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+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61-,62-,67+,68+,69-,70-/m0/s1", "crossref": [ { "url": "https://glytoucan.org/Structures/Glycans/G99524KA", "id": "G99524KA", "database": "GlyTouCan" } ], "synonym": [], "reducing_end": "true", "glycoct": "RES 1b:b-dglc-HEX-1:5 2b:b-dgal-HEX-1:5 3b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 4s:n-acetyl 5b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 6s:n-acetyl 7b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 8s:n-acetyl 9b:b-dgal-HEX-1:5 10s:n-acetyl 11b:b-dgal-HEX-1:5 12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 13s:n-acetyl LIN 1:1o(4+1)2d 2:2o(3+2)3d 3:3d(5+1)4n 4:3o(8+2)5d 5:5d(5+1)6n 6:5o(8+2)7d 7:7d(5+1)8n 8:2o(4+1)9d 9:9d(2+1)10n 10:9o(3+1)11d 11:11o(3+2)12d 12:12d(5+1)13n", "iupac": "alpha-D-NeupAc-(2->8)-alpha-D-NeupAc-(2->8)-alpha-D-NeupAc-(2->3)[alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1->", "aglycon": "Cer", "mass": 1871.63 }