ChemComp-L2B: 3'-DEOXYURIDINE-5'-MONOPHOSPHATE

Basic information

• Entry: Database: PDB chemical components / ID: L2B
• Name: Name: 3'-deoxyuridine-5'-monophosphate; Synonyms: [(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical information

Composition

Formula: C₉H₁₃N₂O₈P / Number of atoms: 33 / Formula weight: 308.182 / Formal charge: 0

Others

6sa1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L2B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SA1

History

Create component	Jul 16, 2019
Modify synonyms	Jun 5, 2020
Initial release	Nov 18, 2020

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
• OpenEye OEToolkits 2.0.7: C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O

SMILES CANONICAL

• CACTVS 3.385: O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
• OpenEye OEToolkits 2.0.7: C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O

InChI

• InChI 1.03: 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

InChIKey

• InChI 1.03: SEOHEWZQAGEAGZ-SHYZEUOFSA-N

PDB entries

Showing all 2 items

PDB-7uob:
SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state

PDB-7uoe:
SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic state