{ "glycoprotein": [], "number_monosaccharides": 10, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/TXKKQZPCFQEBAF-LPGLQHPKSA-N", "key": "TXKKQZPCFQEBAF-LPGLQHPKSA-N" }, "classification": [ { "subtype": { "name": "Ganglio series" }, "type": { "name": "Glycosphingolipid" } } ], "mass_pme": 2367.19, "names": [], "fully_determined": "yes", "keywords": [ "fully_determined" ], "wurcs": "WURCS=2.0/6,10,9/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3-4-2-5-2-5-2-6/a4-b1_b3-c2_b4-d1_d3-e1_e3-f1_f4-g1_g3-h1_h4-i1_i3-j1", "species": [ { "common_name": "rats", "annotation_category": "Direct", "evidence": [ { "url": "https://glytoucan.org/Structures/Glycans/G13670FR", "id": "G13670FR", "database": "GlyTouCan" } ], "taxid": 10114, "name": "Rattus" } ], "publication": [], "subsumption": [ { "type": "topology", "id": "G65898DT", "relationship": "topology" }, { "type": "basecomposition", "id": "G60644BF", "relationship": "basecomposition" }, { "type": "composition", "id": "G11843JH", "relationship": "composition" } ], "enzyme": [], "motifs": [ { "synonym": "alpha-Gal antigen", "id": "GGM.000015", "name": "a-Gal antigen" }, { "synonym": "N-acetyllactosamine", "id": "GGM.000001", "name": "Type 2 LN" }, { "synonym": "i antigen", "id": "GGM.000002", "name": "Type 2 LN2" } ], "glytoucan_ac": "G13670FR", "composition": [ { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" }, { "residue": "dhex", "count": 0, "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": "hex", "count": 6, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "p", "count": 0, "url": 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"InChI=1S/C71H118N4O54/c1-16(86)72-31-20(90)5-71(70(109)110,128-56(31)35(92)21(91)6-76)129-60-50(107)69(122-53-27(12-82)111-61(108)45(102)44(53)101)119-30(15-85)54(60)123-64-34(75-19(4)89)55(37(94)23(8-78)112-64)124-68-48(105)58(39(96)25(10-80)116-68)126-63-33(74-18(3)88)41(98)51(28(13-83)118-63)120-66-47(104)57(38(95)24(9-79)114-66)125-62-32(73-17(2)87)42(99)52(29(14-84)117-62)121-67-49(106)59(40(97)26(11-81)115-67)127-65-46(103)43(100)36(93)22(7-77)113-65/h20-69,76-85,90-108H,5-15H2,1-4H3,(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,109,110)/t20-,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+,49+,50+,51+,52+,53+,54-,55+,56+,57-,58-,59-,60+,61+,62-,63-,64-,65+,66-,67-,68-,69-,71-/m0/s1", "crossref": [ { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252281083", "id": "252281083", "database": "PubChem Substance" }, { "url": "https://glytoucan.org/Structures/Glycans/G13670FR", "id": "G13670FR", "database": "GlyTouCan" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91849421", "id": "91849421", "database": "PubChem Compound" }, { "url": "https://www.glygen.org/glycan/G13670FR", "id": "G13670FR", "database": "GNOme" }, { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=147442", "id": "147442", "database": "ChEBI" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G03995", "id": "G03995", "database": "KEGG Glycan" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+36571", "id": "36571", "database": "CarbBank" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=4399", "id": "4399", "database": "Glycosciences.de" } ], "tool_support": { "sandbox": "no", "gnome": "yes" }, "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:b-dgal-HEX-1:5 6s:n-acetyl 7b:b-dgal-HEX-1:5 8b:b-dglc-HEX-1:5 9s:n-acetyl 10b:b-dgal-HEX-1:5 11b:b-dglc-HEX-1:5 12s:n-acetyl 13b:b-dgal-HEX-1:5 14b:a-dgal-HEX-1:5 LIN 1:1o(4+1)2d 2:2o(3+2)3d 3:3d(5+1)4n 4:2o(4+1)5d 5:5d(2+1)6n 6:5o(3+1)7d 7:7o(3+1)8d 8:8d(2+1)9n 9:8o(4+1)10d 10:10o(3+1)11d 11:11d(2+1)12n 12:11o(4+1)13d 13:13o(3+1)14d", "iupac": "alpha-D-NeupAc-(2->3)[alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp-(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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)NC(=O)C)CO)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)O)O", "mass": 1890.66, "expression": [] }