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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N-carbamyl-L-glutamic Acid

N-carbamyl-L-glutamic Acid synonyms

N-Carbamyl-L-glutamic acid

Wikipedia:

Graphical representations:

N-carbamyl-L-glutamic acid image

View large 3D structure

Molecular Formula: C6 H10 N2 O5

Natural Isotopic Abundance Mass: 190.154

Mono-Isotopic Molecular Masses:

  • C12N14: 190.0589714419
  • C13N14: 196.0791004687
  • C12N15: 192.0530412283
  • C13N15: 198.0731702551

InChI String: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1

canonical and isomeric SMILES: C(CC(=O)O)C(C(=O)O)NC(=O)N

PUBCHEM iupac NAME
2-(carbamoylamino)pentanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-ureidoglutaric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-ureidopentanedioic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(aminocarbonylamino)pentanedioic acid

PubChem Substance (SID):   85165170   17390933   40201484
PubChem Compound (CID):   3679006
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich C4375_SIGMA   ChemSpider 2911647   ChemDB 3999136   MMCD cq_03273   MDL MFCD00047874

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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