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CBF : Summary
Code
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CBF
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One-letter code
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X
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Molecule name
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(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
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Systematic names
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Formula
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C7 H13 N O7
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Formal charge
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0
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Molecular weight
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223.181 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
11.02 |
O=C(N)C1(O)OC(C(O)C(O)C1O)CO |
SMILES
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CACTVS |
3.352 |
NC(=O)[C]1(O)O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C(C1C(C(C(C(O1)(C(=O)N)O)O)O)O)O |
Canonical SMILES
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CACTVS |
3.352 |
NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O |
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IUPAC InChI | InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1 |
IUPAC InChI key | DTZYCNDAJQDPQC-UHKLXPPTSA-N |
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wwPDB Information |
Atom count
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28 (15 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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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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2003-05-01
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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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