BMRB

Biological Magnetic Resonance Data Bank


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

Phenylurea

Phenylurea bmse011985 - Data

Phenylurea synonyms

Wikipedia:

Graphical representations:

phenylurea

View large 3D structure

Molecular Formula: C7H8N2O

Natural Isotopic Abundance Mass: 136.15122

Mono-Isotopic Molecular Masses:

  • C12N14: 136.063662886
  • C13N14: 143.08714675200002
  • C12N15: 138.05773267200001
  • C13N15: 145.08121653800004

InChI string: InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

BMRB Ligand Expo: PHU
EU-OPENSCREEN: EOS102699

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)