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6UZ : Summary
Code
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6UZ
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One-letter code
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X
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Molecule name
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omega-undecylenyl-beta-D-maltopyranoside
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Systematic names
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Formula
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C23 H42 O11
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Formal charge
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0
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Molecular weight
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494.573 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](O[CH]2[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)O[CH]2CO)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.5 |
C=CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCCCCC=C)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C23H42O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h2,14-30H,1,3-13H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 |
IUPAC InChI key | LFZORGOUSJSBOB-ZNGNCRBCSA-N |
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wwPDB Information |
Atom count
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76 (34 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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ATOMS
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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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2016-06-29
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Last modified at
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2020-06-17
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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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