Chemical Components in the PDB

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URI : Summary

Code

URI

One-letter code

X

Molecule name

URIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 uridine
OpenEye OEToolkits 1.5.0 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Formula

C9 H12 N2 O6

Formal charge

0

Molecular weight

244.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
SMILES CACTVS 3.341 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 1.5.0 C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

IUPAC InChI

InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

IUPAC InChI key

DRTQHJPVMGBUCF-XVFCMESISA-N
URI

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-03-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned