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1CF : Summary
Code
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1CF
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One-letter code
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X
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Molecule name
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2-hydroxyethyl 6-deoxy-beta-L-galactopyranoside
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Synonyms
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2-hydroxyethyl 6-deoxy-beta-L-galactoside
2-hydroxyethyl 6-deoxy-L-galactoside
2-hydroxyethyl 6-deoxy-galactoside
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Systematic names
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Formula
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C8 H16 O6
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Formal charge
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0
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Molecular weight
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208.209 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O(CCO)C1OC(C(O)C(O)C1O)C |
SMILES
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CACTVS |
3.370 |
C[CH]1O[CH](OCCO)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC1C(C(C(C(O1)OCCO)O)O)O |
Canonical SMILES
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CACTVS |
3.370 |
C[C@@H]1O[C@H](OCCO)[C@@H](O)[C@H](O)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCCO)O)O)O |
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IUPAC InChI | InChI=1S/C8H16O6/c1-4-5(10)6(11)7(12)8(14-4)13-3-2-9/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1 |
IUPAC InChI key | WEKZOSZDHREWIU-SHGPDSBTSA-N |
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wwPDB Information |
Atom count
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30 (14 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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L-saccharide
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Type code
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ATOMS
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Is modified
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Yes
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Standard parent
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FUL
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Defined at
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2012-12-04
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Last modified at
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2020-07-17
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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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