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KUQ : Summary
Code
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KUQ
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One-letter code
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X
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Molecule name
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(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
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Systematic names
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Formula
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C15 H18 N2 O5
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Formal charge
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0
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Molecular weight
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306.314 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2[nH]cc(n2)C3C(C(C(C(O3)CO)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c[nH]c(n2)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
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IUPAC InChI | InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)9-6-16-15(17-9)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1 |
IUPAC InChI key | HSTOUPNMEGVFOM-RGDJUOJXSA-N |
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wwPDB Information |
Atom count
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40 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2019-06-28
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Last modified at
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2020-02-14
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Status
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Released
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Obsoleted
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Not Assigned
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