BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-deazauridine

Graphical representations:

3-deazauridine image

Molecular Formula: C10 H13 N O6

Natural Isotopic Abundance Mass: 243.21332

Mono-Isotopic Molecular Masses:

  • C12N14: 243.0742871551
  • C13N14: 253.1078355331
  • C12N15: 244.0713220483
  • C13N15: 254.1048704263

InCHi String: InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2

canonical and isomeric SMILES: C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione

PUBCHEM iupac TRADITIONAL NAME
1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyridine-2,4-quinone

PUBCHEM iupac OPENEYE NAME
1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione

PUBCHEM iupac CAS NAME
1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyridine-2,4-dione

PubChem Substance (SID):   111677862   10390245   418741
PubChem Compound (CID):   277822
KEGG: Compound ID   n/a
CAS Registry IDs:   39935-49-4
PDB Chemical Component   URD
Miscellaneous Databases and IDs:   DTP/NCI 126849   NIST 4081606956   MMCD cq_15972   CAS 2305-42-7

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.