BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

5-(Hydroxymethyl)uracil

Graphical representations:

5-(Hydroxymethyl)uracil image

Molecular Formula: C5 H6 N2 O3

Natural Isotopic Abundance Mass: 142.11274

Mono-Isotopic Molecular Masses:

  • C12N14: 142.0378420693
  • C13N14: 147.0546162583
  • C12N15: 144.0319118557
  • C13N15: 149.0486860447

InCHi String: InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)

canonical and isomeric SMILES: C1=C(C(=O)NC(=O)N1)CO

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
5-(hydroxymethyl)-1H-pyrimidine-2,4-dione

PUBCHEM iupac TRADITIONAL NAME
5-methyloluracil

PubChem Substance (SID):   85165232   10414222   92225642
PubChem Compound (CID):   78168
KEGG: Compound ID   C03088
CAS Registry IDs:   4433-40-3
PDB Chemical Component   HMU
Miscellaneous Databases and IDs:   ChEBI CHEBI:16964   ZINC ZINC00114121   BioCyc CPD-254   ChemIDplus 004433403   ChemSpider 70544   ICCB-Longwood/NSRB Screening Facility, Harvard Medical School HMS1619D05   EINECS 224-636-5   CCRIS 8815   NIST 211913310

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.