{ "number_monosaccharides": 3, "inchi_key": { "url": "https://pubchem.ncbi.nlm.nih.gov/compound/SQDFRWJUKVCUOT-JGMUFZQJSA-N", "key": "SQDFRWJUKVCUOT-JGMUFZQJSA-N" }, "glycans": [ { "url": "https://glytoucan.org/Structures/Glycans/G48823WJ", "glytoucan_ac": "G48823WJ" }, { "url": "https://glytoucan.org/Structures/Glycans/G83643ND", "glytoucan_ac": "G83643ND" }, { "url": "https://glytoucan.org/Structures/Glycans/G17034UD", "glytoucan_ac": "G17034UD" }, { "url": "https://glytoucan.org/Structures/Glycans/G49228QV", "glytoucan_ac": "G49228QV" }, { "url": "https://glytoucan.org/Structures/Glycans/G16536QD", "glytoucan_ac": "G16536QD" }, { "url": "https://glytoucan.org/Structures/Glycans/G10487BH", "glytoucan_ac": "G10487BH" }, { "url": "https://glytoucan.org/Structures/Glycans/G42002WQ", "glytoucan_ac": "G42002WQ" }, { "url": "https://glytoucan.org/Structures/Glycans/G93801LA", "glytoucan_ac": "G93801LA" }, { "url": "https://glytoucan.org/Structures/Glycans/G12295TB", "glytoucan_ac": "G12295TB" }, { "url": "https://glytoucan.org/Structures/Glycans/G69876CC", "glytoucan_ac": "G69876CC" }, { "url": "https://glytoucan.org/Structures/Glycans/G90684PC", "glytoucan_ac": "G90684PC" }, { "url": "https://glytoucan.org/Structures/Glycans/G44880NI", "glytoucan_ac": "G44880NI" }, { "url": "https://glytoucan.org/Structures/Glycans/G55880FX", "glytoucan_ac": "G55880FX" }, { "url": "https://glytoucan.org/Structures/Glycans/G50198YU", "glytoucan_ac": "G50198YU" }, { "url": "https://glytoucan.org/Structures/Glycans/G48638TB", "glytoucan_ac": "G48638TB" }, { "url": "https://glytoucan.org/Structures/Glycans/G84646MS", "glytoucan_ac": "G84646MS" }, { "url": "https://glytoucan.org/Structures/Glycans/G28371PC", "glytoucan_ac": "G28371PC" }, { "url": "https://glytoucan.org/Structures/Glycans/G23348CE", "glytoucan_ac": "G23348CE" } ], "smiles_isomeric": "C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O)CO)O)NC(=O)C)O)O)O", "mass_pme": 735.3, "names": [ { "domain": "motifname", "name": "3'-Sulfo-Lewis x" } ], "fully_determined": "yes", "keywords": [ { "url": "https://glycomotif.glyomics.org/glycomotif/Lewis_x", "label": "Lewis x" } ], "wurcs": "WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3/a3-b1_a4-c1", "publication": [ { "reference": [ { "url": "https://www.ncbi.nlm.nih.gov/pubmed/19756298", "type": [ "PubMed" ], "id": "19756298" } ], "title": "The repertoire of glycan determinants in the human glycome.", "journal": "Molecular bioSystems", "evidence": [ { "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000029", "id": "GGM.000029", "database": "Glycan Motif" } ], "authors": "Cummings RD", "date": "2009" }, { "reference": [ { "url": "https://www.ncbi.nlm.nih.gov/pubmed/9556613", "type": [ "PubMed" ], "id": "9556613" } ], "title": "Identification of a major carbohydrate capping group of the L-selectin ligand on high endothelial venules in human lymph nodes as 6-sulfo sialyl Lewis X.", "journal": "The Journal of biological chemistry", "evidence": [ { "url": "https://glycomotif.glyomics.org/glycomotif/GGM.000029", "id": "GGM.000029", "database": "Glycan Motif" } ], "authors": "Mitsuoka C, Sawada-Kasugai M, Ando-Furui K, Izawa M, Nakanishi H, Nakamura S, Ishida H, Kiso M, Kannagi R", "date": "1998" } ], "subsumption": [ { "type": "BaseComposition", "id": "G26918LL" }, { "type": "Topology", "id": "G85134KU" }, { "type": "Topology", "id": "G22182VT" }, { "type": "Composition", "id": "G92324WH" }, { "type": "Saccharide", "id": "G26555CS" }, { "type": "Topology", "id": "G70495NK" }, { "type": "Saccharide", "id": "G22558VL" }, { "type": "Composition", "id": "G08671QK" }, { "type": "Saccharide", "id": "G98808JL" } ], "motif_ac": "GGM.000029", "glytoucan_ac": "G12295TB", "composition": [ { "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": "neugc", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/440001", "name": "N-Glycolyl-Neuraminic Acid", "cid": "440001" }, { "residue": "hex", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/206", "name": "Hexose", "cid": "206" }, { "residue": "hexa", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/610", "name": "Hexuronic Acid", "cid": "610" }, { "residue": "s", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1117", "name": "Sulfate", "cid": "1117" }, { "residue": "p", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/1061", "name": "Phosphate", "cid": "1061" }, { "residue": "hexn", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/739", "name": "2-Amino-2-Deoxy-Hexose", "cid": "739" }, { "residue": "hexnac", "count": 1, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/899", "name": "N-Acetylhexosamine", "cid": "899" }, { "residue": "neuac", "count": 0, "url": "https://pubchem.ncbi.nlm.nih.gov/compound/439197", "name": "N-Acetyl-Neuraminic Acid", "cid": "439197" } ], "alignment_method": "Substructure", "residues": [], "glycam": "DGalp[3S]b1-4[LFucpa1-3]DGlcpNAcb1-", "inchi": "InChI=1S/C20H35NO18S/c1-5-10(25)12(27)13(28)19(34-5)38-16-9(21-6(2)24)18(30)35-8(4-23)15(16)37-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H,31,32,33)/t5-,7+,8+,9+,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20-/m0/s1", "crossref": [ { "url": "https://glytoucan.org/Structures/Glycans/G12295TB", "id": "G12295TB", "database": "GlyTouCan" } ], "synonym": [ "3'-Sulfo Lewis x", "3'-sulfo Lex", "3'-sulfo Le^x" ], "reducing_end": "false", "glycoct": "RES 1b:b-dglc-HEX-1:5 2s:n-acetyl 3b:a-lgal-HEX-1:5|6:d 4b:b-dgal-HEX-1:5 5s:sulfate LIN 1:1d(2+1)2n 2:1o(3+1)3d 3:1o(4+1)4d 4:4o(3+1)5n", "iupac": "beta-D-Galp3S-(1->4)[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->", "aglycon": "R", "mass": 609.16 }