File size: 4,381 Bytes
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"archetype": {
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"name": "DGlcpNAcb1-3DGalpNAca1-OH",
"glycam": "DGlcpNAcb1-3DGalpNAc",
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"iupac_extended": "β-D-GlcpNAc-(1→3)-D-GalNAc",
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"smiles": "O1C(O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H]1CO",
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},
"composition": {
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},
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"length": 1.5,
"package": "GROMACS",
"forcefield": "GLYCAM_06j",
"temperature": 300.0,
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"salt": "200"
},
"alpha": {
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"name": "DGlcpNAcb1-3DGalpNAca1-OH",
"glycam": "DGlcpNAcb1-3DGalpNAca1-OH",
"iupac": "GlcNAc(b1-3)GalNAc(a1-",
"iupac_extended": "β-D-GlcpNAc-(1→3)-α-D-GalpNAc-(1→",
"glytoucan": "G00035MO",
"wurcs": "WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1"
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"beta": {
"ID": "GS00017",
"name": "DGlcpNAcb1-3DGalpNAca1-OH",
"glycam": "DGlcpNAcb1-3DGalpNAcb1-OH",
"iupac": "GlcNAc(b1-3)GalNAc(b1-",
"iupac_extended": "β-D-GlcpNAc-(1→3)-β-D-GalpNAc-(1→",
"glytoucan": "G75113PZ",
"wurcs": "WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a3-b1"
},
"search_meta": {
"common_names": [],
"description": "",
"keywords": []
}
} |