{ "glycoprotein": [], "number_monosaccharides": 11, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/NRMDIAXWLRJDCI-WMLLOCMZSA-N", "key": "NRMDIAXWLRJDCI-WMLLOCMZSA-N" }, "classification": [ { "subtype": { "name": "Neo-lacto series" }, "type": { "name": "Glycosphingolipid" } } ], "mass_pme": 2541.28, "names": [], "fully_determined": "yes", "keywords": [ "fully_determined" ], "wurcs": "WURCS=2.0/6,11,10/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-3-2-4-3-2-5-6/a4-b1_b3-c1_c4-d1_d3-e1_d6-h1_e4-f1_f3-g2_h4-i1_i2-j1_i3-k1", "species": [], "publication": [], "subsumption": [ { "type": "composition", "id": "G54670DG", "relationship": "composition" }, { "type": "basecomposition", "id": "G67733JP", "relationship": "basecomposition" }, { "type": "topology", "id": "G84471TB", "relationship": "topology" } ], "enzyme": [], "motifs": [ { "synonym": "", "id": "GGM.000034", "name": "3-Sialyl-LN (type 2)" }, { "synonym": "i antigen", "id": "GGM.000002", "name": "Type 2 LN2" }, { "synonym": "N-acetyllactosamine", "id": "GGM.000001", "name": "Type 2 LN" }, { "synonym": "", "id": "GGM.000052", "name": "Polysialic acid" }, { "synonym": "alpha-Gal antigen", "id": "GGM.000015", "name": "a-Gal antigen" }, { "synonym": "", "id": "GGM.000003", "name": "I antigen" } ], "glytoucan_ac": "G08855PJ", "composition": [ { "residue": "hexnac", "count": 3, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "other", "count": 0, "name": "Other" }, { "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": "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": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "neuac", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "neugc", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001", "name": "N-Glycolyl-Neuraminic Acid", "cid": "440001" }, { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" } ], "interactions": [], "residues": [], "glycam": "DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-6[DNeup5Aca2-3DGalpb1-4DGlcpNAcb1-3]DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpb1-", "inchi": "InChI=1S/C77H128N4O58/c1-17-37(97)47(107)51(111)70(120-17)137-65-64(136-71-52(112)48(108)39(99)24(8-83)122-71)42(102)27(11-86)125-75(65)133-58-29(13-88)126-67(34(44(58)104)79-19(3)92)119-16-32-43(103)62(54(114)73(129-32)130-56-30(14-89)127-68(35(45(56)105)80-20(4)93)134-61-40(100)25(9-84)123-72(53(61)113)132-59-28(12-87)121-66(116)50(110)49(59)109)135-69-36(81-21(5)94)46(106)57(31(15-90)128-69)131-74-55(115)63(41(101)26(10-85)124-74)139-77(76(117)118)6-22(95)33(78-18(2)91)60(138-77)38(98)23(96)7-82/h17,22-75,82-90,95-116H,6-16H2,1-5H3,(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,117,118)/t17-,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-,70-,71+,72-,73-,74-,75-,77-/m0/s1", "crossref": [ { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/91852894", "id": "91852894", "database": "PubChem Compound" }, { "url": "https://www.glygen.org/glycan/G08855PJ", "id": "G08855PJ", "database": "GNOme" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+1871", "id": "1871", "database": "CarbBank" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/252285210", "id": "252285210", "database": "PubChem Substance" }, { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=146904", "id": "146904", "database": "ChEBI" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?gl:G02670", "id": "G02670", "database": "KEGG Glycan" }, { "url": "https://www.genome.jp/dbget-bin/www_bget?carbbank+46281", "id": "46281", "database": "CarbBank" }, { "url": "https://glytoucan.org/Structures/Glycans/G08855PJ", "id": "G08855PJ", "database": "GlyTouCan" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=7249", "id": "7249", "database": "Glycosciences.de" } ], "tool_support": { "sandbox": "no", "gnome": "yes" }, "glycoct": "RES 1b:b-dglc-HEX-1:5 2b:b-dgal-HEX-1:5 3b:b-dglc-HEX-1:5 4s:n-acetyl 5b:b-dgal-HEX-1:5 6b:b-dglc-HEX-1:5 7s:n-acetyl 8b:b-dgal-HEX-1:5 9b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 10s:n-acetyl 11b:b-dglc-HEX-1:5 12s:n-acetyl 13b:b-dgal-HEX-1:5 14b:a-lgal-HEX-1:5|6:d 15b:a-dgal-HEX-1:5 LIN 1:1o(4+1)2d 2:2o(3+1)3d 3:3d(2+1)4n 4:3o(4+1)5d 5:5o(3+1)6d 6:6d(2+1)7n 7:6o(4+1)8d 8:8o(3+2)9d 9:9d(5+1)10n 10:5o(6+1)11d 11:11d(2+1)12n 12:11o(4+1)13d 13:13o(2+1)14d 14:13o(3+1)15d", "iupac": "alpha-D-NeupAc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)[alpha-D-Galp-(1->3)[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->", "smiles_isomeric": 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