File size: 5,285 Bytes
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"archetype": {
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"name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH",
"glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcp",
"iupac": "Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc",
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"smiles": "O1C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)CO)O3)[C@H]2O)[C@H]1CO",
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"mass": 940.3,
"motifs": [],
"termini": [
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"Gal": 1,
"Glc": 1
},
"composition": {
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"Cluster 11": 1.8248,
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"length": 2.0,
"package": "GROMACS",
"forcefield": "GLYCAM_06j",
"temperature": 300.0,
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"salt": "150"
},
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"ID": "GS00007",
"name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH",
"glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH",
"iupac": "Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc(a1-",
"iupac_extended": "α-D-Neup5Ac-(2→8)-α-D-Neup5Gc-(2→3)-β-D-Galp-(1→4)-α-D-Glcp-(1→",
"glytoucan": "G83903NJ",
"wurcs": "WURCS=2.0/4,4,3/[a2122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2"
},
"beta": {
"ID": "GS00007",
"name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH",
"glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpb1-OH",
"iupac": "Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc(b1-",
"iupac_extended": "α-D-Neup5Ac-(2→8)-α-D-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→",
"glytoucan": "G27243GN",
"wurcs": "WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2"
},
"search_meta": {
"common_names": [],
"description": "",
"keywords": []
}
} |