{ "glycoprotein": [], "number_monosaccharides": 9, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/YVJNEDPSJCYDGQ-GNHVNZAYSA-N", "key": "YVJNEDPSJCYDGQ-GNHVNZAYSA-N" }, "classification": [ { "subtype": { "url": "", "name": "Other" }, "type": { "url": "", "name": "Other" } } ], "mass_pme": 2062.05, "names": [], "fully_determined": "yes", "keywords": [ "fully_determined" ], "wurcs": "WURCS=2.0/5,9,8/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-3-2-5-4/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-i1_g3-h2", "species": [], "crossref_internal": { "motif": [ "GGM.000005", "GGM.000024", "GGM.000001", "GGM.000018", "GGM.000020" ] }, "publication": [], "subsumption": [ { "type": "Saccharide", "id": "G23764HO", "relationship": "Subsumes" }, { "type": "Composition", "id": "G87321EI", "relationship": "Ancestor" }, { "type": "Topology", "id": "G94705BE", "relationship": "Ancestor" }, { "type": "Composition", "id": "G06046KU", "relationship": "Ancestor" }, { "type": "Topology", "id": "G77989NY", "relationship": "SubsumedBy" }, { "type": "Saccharide", "id": "G48643VT", "relationship": "SubsumedBy" }, { "type": "Topology", "id": "G85163FJ", "relationship": "Ancestor" }, { "type": "Composition", "id": "G73372SB", "relationship": "Ancestor" }, { "type": "Saccharide", "id": "G23764HO", "relationship": "Descendant" }, { "type": "Composition", "id": "G46433HY", "relationship": "Ancestor" }, { "type": "Topology", "id": "G77989NY", "relationship": "Ancestor" }, { "type": "Saccharide", "id": "G48643VT", "relationship": "Ancestor" }, { "type": "BaseComposition", "id": "G98993TR", "relationship": "Ancestor" } ], "enzyme": [], "motifs": [ { "id": "GGM.000001", "name": "Type 2 LN" }, { "id": "GGM.000005", "name": "Type 1 LN" }, { "id": "GGM.000018", "name": "Lewis x" }, { "id": "GGM.000020", "name": "Lewis a" }, { "id": "GGM.000024", "name": "Sialyl Lewis a" } ], "glytoucan_ac": "G07467EB", "composition": [ { "residue": "neuac", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "hex", "count": 4, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "other", "count": 0, "name": "Other" }, { "residue": "s", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" }, { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" }, { "residue": "neugc", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001", "name": "N-Glycolyl-Neuraminic Acid", "cid": "440001" }, { "residue": "hexnac", "count": 2, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "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" } ], "interactions": [], "residues": [], "glycam": "", "inchi": "InChI=1S/C63H105N3O47/c1-14-30(79)36(85)40(89)57(97-14)106-46-25(12-72)103-56(29(66-18(5)76)50(46)109-61-44(93)53(35(84)23(10-70)102-61)113-63(62(95)96)6-19(77)27(64-16(3)74)48(112-63)32(81)20(78)7-67)111-52-34(83)22(9-69)101-60(43(52)92)107-47-26(13-73)104-55(28(65-17(4)75)49(47)108-58-41(90)37(86)31(80)15(2)98-58)110-51-33(82)21(8-68)100-59(42(51)91)105-45-24(11-71)99-54(94)39(88)38(45)87/h14-15,19-61,67-73,77-94H,6-13H2,1-5H3,(H,64,74)(H,65,75)(H,66,76)(H,95,96)/t14-,15-,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+,49+,50+,51-,52-,53-,54?,55-,56-,57-,58-,59-,60-,61-,63-/m0/s1", "crossref": [ { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G04608", "id": "G04608", "database": "KEGG Glycan" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252277884", "id": "252277884", "database": "PubChem Substance" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91846745", "id": "91846745", "database": "PubChem Compound" }, { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=147157", "id": "147157", "database": "ChEBI" } ], "tool_support": { "sandbox": "yes", "gnome": "yes" }, "glycoct": "RES 1b:x-dglc-HEX-1:5 2b:b-dgal-HEX-1:5 3b:b-dglc-HEX-1:5 4s:n-acetyl 5b:a-lgal-HEX-1:5|6:d 6b:b-dgal-HEX-1:5 7b:b-dglc-HEX-1:5 8s:n-acetyl 9b:b-dgal-HEX-1:5 10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 11s:n-acetyl 12b:a-lgal-HEX-1:5|6:d LIN 1:1o(4+1)2d 2:2o(3+1)3d 3:3d(2+1)4n 4:3o(3+1)5d 5:3o(4+1)6d 6:6o(3+1)7d 7:7d(2+1)8n 8:7o(3+1)9d 9:9o(3+2)10d 10:10d(5+1)11n 11:7o(4+1)12d", "iupac": "alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-?-D-Glcp(1->", "smiles_isomeric": "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O[C@H]8[C@H]([C@H](O[C@H]([C@@H]8O)O[C@@H]9[C@H](OC([C@@H]([C@H]9O)O)O)CO)CO)O)CO)CO)O)CO)O)O)O", "mass": 1655.59, "expression": [] }