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KZ3 : Summary
Code ![](/pdbe/static/images/help.png)
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KZ3
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C24 H26 F N O5
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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427.465 Da
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SMILES ![](/pdbe/static/images/help.png)
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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)n2cc(Cc3ccc(cc3)C4CC4)c5c(F)cccc25 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(c(c1)F)c(cn2C3C(C(C(C(O3)CO)O)O)O)Cc4ccc(cc4)C5CC5 |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n2cc(Cc3ccc(cc3)C4CC4)c5c(F)cccc25 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(c(c1)F)c(cn2[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cc4ccc(cc4)C5CC5 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C24H26FNO5/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)11-26(18)24-23(30)22(29)21(28)19(12-27)31-24/h1-7,11,15,19,21-24,27-30H,8-10,12H2/t19-,21-,22+,23-,24-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PXRGAWZIQZMHTH-PFKOEMKTSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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57 (31 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-11-01
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Last modified at ![](/pdbe/static/images/help.png)
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2023-10-27
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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