Biological Magnetic Resonance Data Bank

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

Ureidosuccinic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C5H8N2O5

Natural Isotopic Abundance Mass: 176.12742

Mono-Isotopic Molecular Masses:

  • C12N14: 176.0433213777
  • C13N14: 181.0600955667
  • C12N15: 178.0373911641
  • C13N15: 183.0541653531

InChI string: InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m1/s1

PubChem Compound (CID): 279
CAS Registry number: 16649-79-9 923-37-5
Sigma-Aldrich: 94290_FLUKA
ChemBank: NCI60_001036
ChemIDplus: 000923375
DrugBank: DB04252
ChemSpider: 273
EINECS: 213-096-6
ChemDB: 4581943
PDB Compound ID: NCD

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,