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"glycam": "", "inchi": "InChI=1S/C93H154N6O68/c1-21-47(117)60(130)65(135)85(146-21)144-20-40-74(55(125)42(80(140)147-40)95-23(3)110)158-82-44(97-25(5)112)57(127)73(37(17-108)153-82)161-88-68(138)76(163-91-79(63(133)51(121)32(12-103)151-91)165-84-46(99-27(7)114)59(129)72(36(16-107)155-84)160-87-67(137)62(132)50(120)31(11-102)149-87)54(124)39(156-88)19-145-90-78(164-83-45(98-26(6)113)58(128)71(35(15-106)154-83)159-86-66(136)61(131)49(119)30(10-101)148-86)64(134)52(122)38(157-90)18-143-81-43(96-24(4)111)56(126)70(34(14-105)152-81)162-89-69(139)77(53(123)33(13-104)150-89)167-93(92(141)142)8-28(115)41(94-22(2)109)75(166-93)48(118)29(116)9-100/h21,28-91,100-108,115-140H,8-20H2,1-7H3,(H,94,109)(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,141,142)/t21-,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+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79-,80?,81+,82-,83-,84-,85+,86-,87-,88-,89-,90-,91+,93-/m0/s1", "crossref": [ { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252283067", "id": "252283067", "database": "PubChem Substance" }, { "url": "https://raw.githack.com/CCRC-will/glycoTree/master/portal/explore.html?G10725II", "id": "G10725II", "database": "SandBox" }, { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=147227", "id": "147227", "database": "ChEBI" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G03896", "id": "G03896", "database": "KEGG Glycan" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91851100", "id": "91851100", "database": "PubChem Compound" }, { "url": "https://glytoucan.org/Structures/Glycans/G10725II", "id": "G10725II", "database": "GlyTouCan" }, { "url": "https://www.glygen.org/glycan/G10725II", "id": "G10725II", "database": "GNOme" } ], "tool_support": { "sandbox": "yes", "gnome": "yes" }, "glycoct": "RES 1b:x-dglc-HEX-1:5 2s:n-acetyl 3b:b-dglc-HEX-1:5 4s:n-acetyl 5b:b-dman-HEX-1:5 6b:a-dman-HEX-1:5 7b:b-dglc-HEX-1:5 8s:n-acetyl 9b:b-dgal-HEX-1:5 10b:a-dman-HEX-1:5 11b:b-dglc-HEX-1:5 12s:n-acetyl 13b:b-dgal-HEX-1:5 14b:b-dglc-HEX-1:5 15s:n-acetyl 16b:b-dgal-HEX-1:5 17b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 18s:n-acetyl 19b:a-lgal-HEX-1:5|6:d LIN 1:1d(2+1)2n 2:1o(4+1)3d 3:3d(2+1)4n 4:3o(4+1)5d 5:5o(3+1)6d 6:6o(2+1)7d 7:7d(2+1)8n 8:7o(4+1)9d 9:5o(6+1)10d 10:10o(2+1)11d 11:11d(2+1)12n 12:11o(4+1)13d 13:10o(6+1)14d 14:14d(2+1)15n 15:14o(4+1)16d 16:16o(3+2)17d 17:17d(5+1)18n 18:1o(6+1)19d", "iupac": "beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)[alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)[alpha-L-Fucp-(1->6)]-?-D-GlcpNAc-(1->", "smiles_isomeric": "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O", "mass": 2442.88, "expression": [] }