Chemical Components in the PDB

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UR3 : Summary

Code

UR3

One-letter code

U

Molecule name

3-METHYLURIDINE-5'-MONOPHOSHATE

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methyluridine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.7.6 [(2R,3S,4R,5R)-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C10 H15 N2 O9 P

Formal charge

0

Molecular weight

338.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C=C1)C)C(O)C2O
SMILES CACTVS 3.370 CN1C(=O)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O
SMILES OpenEye OEToolkits 1.7.6 CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.370 CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C10H15N2O9P/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H2,17,18,19)/t5-,7-,8-,9-/m1/s1

IUPAC InChI key

KZSHODFDDQCIMT-ZOQUXTDFSA-N
UR3

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

U

Defined at

2004-03-17

Last modified at

2011-12-06

Status

Released

Obsoleted

Not Assigned