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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5-methyluridine

Graphical representations:

5-methyluridine image

Molecular Formula: C10 H14 N2 O6

Natural Isotopic Abundance Mass: 258.22796

Mono-Isotopic Molecular Masses:

  • C12N14: 258.0851861924
  • C13N14: 268.1187345704
  • C12N15: 260.0792559788
  • C13N15: 270.1128043568

InCHi String: InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1

canonical SMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

PUBCHEM iupac NAME
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

PUBCHEM iupac TRADITIONAL NAME
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

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

PUBCHEM iupac CAS NAME
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione

PUBCHEM iupac SYSTEMATIC NAME
1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

PubChem Substance (SID):   111677887   7885419   24897297
PubChem Compound (CID):   445408
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 1463-10-1   MMCD cq_10828   Sigma-Aldrich M8905_SIGMA   ChEBI CHEBI:30821   SMID 5MU-5MU-5MU   NIAID 184529

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.