{ "glycoprotein": [], "number_monosaccharides": 10, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/YNKKVMJUYFKWMW-CXUMFORSSA-N", "key": "YNKKVMJUYFKWMW-CXUMFORSSA-N" }, "classification": [ { "subtype": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=complex_N-glycan&jump_to_nav=true", "name": "complex" }, "type": { "url": "http://bioportal.bioontology.org/ontologies/GLYCO/?p=classes&conceptid=N-glycan&jump_to_nav=true", "name": "N-glycan" } } ], "mass_pme": 2303.19, "names": [], "fully_determined": "yes", "wurcs": "WURCS=2.0/4,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-1-1-3-1-4/a4-b1_a6-j1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1", "species": [], "publication": [], "subsumption": [ { "type": "Saccharide", "id": "G13563KX" }, { "type": "Topology", "id": "G81706PC" }, { "type": "Topology", "id": "G58612QI" }, { "type": "Composition", "id": "G30581JZ" }, { "type": "Saccharide", "id": "G93802VS" }, { "type": "Saccharide", "id": "G99952ON" }, { "type": "Topology", "id": "G35303SC" }, { "type": "Composition", "id": "G19417GQ" }, { "type": "Saccharide", "id": "G83892WB" }, { "type": "Saccharide", "id": "G75472JW" }, { "type": "BaseComposition", "id": "G50757KG" }, { "type": "Saccharide", "id": "G26275JI" }, { "type": "BaseComposition", "id": "G55382TU" }, { "type": "Saccharide", "id": "G03512HG" }, { "type": "Saccharide", "id": "G93934MI" }, { "type": "Saccharide", "id": "G95640VH" }, { "type": "Composition", "id": "G76945EC" }, { "type": "Saccharide", "id": "G09666WO" }, { "type": "Composition", "id": "G51136OY" }, { "type": "Composition", "id": "G01485JJ" }, { "type": "Topology", "id": "G14398DY" }, { "type": "Topology", "id": "G13414PF" }, { "type": "Topology", "id": "G76794HC" }, { "type": "Saccharide", "id": "G51783BY" }, { "type": "Composition", "id": "G06223LU" } ], "enzyme": [], "motifs": [], "glytoucan_ac": "G09446VC", "composition": [ { "residue": "hexa", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/610", "name": "Hexuronic Acid", "cid": "610" }, { "residue": "dhex", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/840", "name": "6-Deoxy-Hexose", "cid": "840" }, { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "hexnac", "count": 6, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "hex", "count": 3, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "neuac", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" }, { "residue": "other", "count": 0, "name": "Other" }, { "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": "s", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" } ], "interactions": [], "residues": [], "glycam": "DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-2DManpa1-6][DGlcpNAcb1-4]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-", "inchi": "InChI=1S/C72H120N6O50/c1-17-39(92)51(104)53(106)69(112-17)110-15-31-58(49(102)33(63(109)113-31)73-18(2)86)123-68-38(78-23(7)91)50(103)56(29(13-84)119-68)124-70-55(108)60(126-72-62(128-67-37(77-22(6)90)48(101)43(96)27(11-82)117-67)54(107)57(30(14-85)120-72)122-64-34(74-19(3)87)45(98)40(93)24(8-79)114-64)59(125-65-35(75-20(4)88)46(99)41(94)25(9-80)115-65)32(121-70)16-111-71-61(52(105)44(97)28(12-83)118-71)127-66-36(76-21(5)89)47(100)42(95)26(10-81)116-66/h17,24-72,79-85,92-109H,8-16H2,1-7H3,(H,73,86)(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)/t17-,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+/m0/s1", "crossref": [ { "url": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=146987", "id": "146987", "database": "ChEBI" }, { "url": "http://www.glycosciences.de/database/start.php?action=explore_linucsid&linucsid=24892", "id": "24892", "database": "Glycosciences.de" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/CID91848520", "id": "CID91848520", "database": "PubChem Compound" }, { "url": "https://pubchem.ncbi.nlm.nih.gov/substance/SID252280027", "id": "SID252280027", "database": "PubChem Substance" } ], "glycoct": "RES 1b:b-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-dglc-HEX-1:5 10s:n-acetyl 11b:b-dglc-HEX-1:5 12s:n-acetyl 13b:a-dman-HEX-1:5 14b:b-dglc-HEX-1:5 15s:n-acetyl 16b: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 8:6o(4+1)9d 9:9d(2+1)10n 10:5o(4+1)11d 11:11d(2+1)12n 12:5o(6+1)13d 13:13o(2+1)14d 14:14d(2+1)15n 15:1o(6+1)16d", "iupac": "beta-D-GlcpNAc-(1->2)[beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)beta-D-GlcpNAc-(1->4)[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)[alpha-L-Fucp-(1->6)]-beta-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@@H](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)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O", "mass": 1868.7, "expression": [] }