Chemical Components in the PDB

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L2B : Summary

Code

L2B

One-letter code

X

Molecule name

3'-DEOXYURIDINE-5'-MONOPHOSPHATE

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C9 H13 N2 O8 P

Formal charge

0

Molecular weight

308.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
SMILES OpenEye OEToolkits 2.0.7 C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O
Canonical SMILES CACTVS 3.385 O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O

IUPAC InChI

InChI=1S/C9H13N2O8P/c12-6-3-5(4-18-20(15,16)17)19-8(6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

IUPAC InChI key

SEOHEWZQAGEAGZ-SHYZEUOFSA-N
L2B

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-16

Last modified at

2020-11-13

Status

Released

Obsoleted

Not Assigned