Chemical Components in the PDB

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ANU : Summary

Code

ANU

One-letter code

X

Molecule name

2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil

Synonyms

Anhydrouridine
2,2'-ANHYDROURIDINE
CYCLOURIDINE

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},4~{R},5~{R},6~{S})-4-(hydroxymethyl)-5-oxidanyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0^{2,6}]dodeca-8,11-dien-10-one

Formula

C9 H10 N2 O5

Formal charge

0

Molecular weight

226.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
Canonical SMILES CACTVS 3.385 OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O

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
ANU

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-12-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned