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2UF : Summary
Code
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2UF
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One-letter code
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X
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Molecule name
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L-gulonate
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Systematic names
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Formula
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C6 H12 O7
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Formal charge
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0
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Molecular weight
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196.155 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)C(O)C(O)C(O)C(O)CO |
SMILES
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CACTVS |
3.385 |
OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.9.2 |
C(C(C(C(C(C(=O)O)O)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.385 |
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1 |
IUPAC InChI key | RGHNJXZEOKUKBD-QTBDOELSSA-N |
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wwPDB Information |
Atom count
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25 (13 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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2014-05-07
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Last modified at
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2014-09-05
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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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