File size: 7,560 Bytes
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"mass": 1590.51,
"motifs": [
{
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"motif_label": "Blood group H (type 1)"
},
{
"motif": "G39211DH",
"motif_label": "Lewis b"
},
{
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}
],
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],
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"dHex": 3,
"S": 1
},
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"hbond_acceptor": 46,
"entropy": 13.377984528091357,
"clusters": {
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"Cluster 4": 6.54
},
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"length": 1.5,
"package": "GROMACS",
"forcefield": "GLYCAM_06j",
"temperature": 300.0,
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"salt": "150"
},
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"iupac_extended": "α-L-Fucp-(1→2)-β-D-Galp-(1→3)[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-α-D-Glcp-(1→",
"glytoucan": "G71880TG",
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"beta": {
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"glycam": "LFucpa1-2DGalpb1-3[LFucpa1-4]DGlcpNAcb1-3DGalpb1-4[LFucpa1-3]DGlcpNAc[6S]b1-3DGalpb1-4DGlcpb1-OH",
"iupac": "Fuc(a1-2)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc6S(b1-3)Gal(b1-4)Glc(b1-",
"iupac_extended": "α-L-Fucp-(1→2)-β-D-Galp-(1→3)[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→",
"glytoucan": "G27399KC",
"wurcs": "WURCS=2.0/5,9,8/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5-2-4-4/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-i1_g2-h1"
},
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"common_names": [],
"description": "",
"keywords": []
}
} |