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ANU : Summary
Code
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ANU
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One-letter code
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X
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Molecule name
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2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil
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Synonyms
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Anhydrouridine
2,2'-ANHYDROURIDINE
CYCLOURIDINE
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Systematic names
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Formula
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C9 H10 N2 O5
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Formal charge
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0
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Molecular weight
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226.186 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]2[CH](OC3=NC(=O)C=CN23)[CH]1O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O |
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IUPAC InChI | InChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1 |
IUPAC InChI key | UUGITDASWNOAGG-CCXZUQQUSA-N |
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wwPDB Information |
Atom count
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26 (16 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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2004-12-14
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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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