{ "glycoprotein": [], "number_monosaccharides": 12, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/UUTDEYDGTGQPJW-JMEOBJGESA-N", "key": "UUTDEYDGTGQPJW-JMEOBJGESA-N" }, "classification": [ { "subtype": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=core-2_O-glycan&jump_to_nav=true", "name": "Core 2" }, "type": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=O-glycan&jump_to_nav=true", "name": "O-linked" } } ], "mass_pme": 2984.51, "names": [], "fully_determined": "yes", "keywords": [ "fully_determined" ], "wurcs": "WURCS=2.0/5,12,11/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-3-2-4-3-4-3-2-5/a3-b1_a6-j1_b3-c1_b6-i2_c4-d1_d3-e1_d6-h1_e3-f1_f3-g2_j4-k1_k2-l1", "species": [], "publication": [], "subsumption": [ { "type": "composition", "id": "G92803WT", "relationship": "composition" }, { "type": "topology", "id": "G70048IK", "relationship": "topology" }, { "type": "basecomposition", "id": "G58271GK", "relationship": "basecomposition" } ], "enzyme": [], "motifs": [ { "synonym": "N-acetyllactosamine", "id": "GGM.000001", "name": "Type 2 LN" }, { "synonym": "", "id": "GGM.000005", "name": "Type 1 LN" } ], "glytoucan_ac": "G02161CI", "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": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840", "name": "6-Deoxy-Hexose", "cid": "840" }, { "residue": "s", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" }, { "residue": "hexnac", "count": 5, "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": "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": "hex", "count": 4, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "neuac", "count": 2, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "other", "count": 0, "name": "Other" } ], "interactions": [], "residues": [], "glycam": "", "inchi": "InChI=1S/C92H151N7O66/c1-22-50(119)63(132)65(134)84(146-22)162-78-64(133)54(123)35(14-103)151-88(78)157-70-38(17-106)152-81(46(61(70)130)96-26(5)111)143-19-40-57(126)71(48(79(138)147-40)98-28(7)113)158-86-67(136)76(59(128)42(155-86)21-145-91(89(139)140)9-30(115)43(93-23(2)108)73(163-91)51(120)32(117)11-100)160-82-47(97-27(6)112)62(131)69(39(18-107)153-82)156-85-66(135)75(58(127)41(154-85)20-144-80-45(95-25(4)110)60(129)53(122)34(13-102)148-80)161-83-49(99-29(8)114)72(55(124)36(15-104)149-83)159-87-68(137)77(56(125)37(16-105)150-87)165-92(90(141)142)10-31(116)44(94-24(3)109)74(164-92)52(121)33(118)12-101/h22,30-88,100-107,115-138H,9-21H2,1-8H3,(H,93,108)(H,94,109)(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,139,140)(H,141,142)/t22-,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+,70+,71+,72+,73+,74+,75-,76-,77-,78+,79?,80+,81+,82-,83-,84-,85-,86-,87-,88-,91+,92-/m0/s1", "crossref": [ { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=146623", "id": "146623", "database": "ChEBI" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/71298503", "id": "71298503", "database": "PubChem Compound" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252292925", "id": "252292925", "database": "PubChem Substance" }, { "url": "https://glytoucan.org/Structures/Glycans/G02161CI", "id": "G02161CI", "database": "GlyTouCan" }, { "url": "https://www.glygen.org/glycan/G02161CI", "id": "G02161CI", "database": "GNOme" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G03816", "id": "G03816", "database": "KEGG Glycan" } ], "tool_support": { "sandbox": "no", "gnome": "yes" }, "glycoct": "RES 1b:x-dgal-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 10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 11s:n-acetyl 12b:b-dglc-HEX-1:5 13s:n-acetyl 14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 15s:n-acetyl 16b:b-dglc-HEX-1:5 17s:n-acetyl 18b:b-dgal-HEX-1:5 19b:a-lgal-HEX-1:5|6:d LIN 1:1d(2+1)2n 2:1o(3+1)3d 3:3o(3+1)4d 4:4d(2+1)5n 5:4o(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 11:6o(6+1)12d 12:12d(2+1)13n 13:3o(6+2)14d 14:14d(5+1)15n 15:1o(6+1)16d 16:16d(2+1)17n 17:16o(4+1)18d 18:18o(2+1)19d", "iupac": "alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)[beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)[alpha-D-NeupAc-(2->6)]-beta-D-Galp-(1->3)[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-?-D-GalpNAc-(1->", "smiles_isomeric": 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