Biological Magnetic Resonance Data Bank

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

Argininosuccinic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C10H18N4O6

Natural Isotopic Abundance Mass: 290.27312

Mono-Isotopic Molecular Masses:

  • C12N14: 290.1226343312
  • C13N14: 300.1561827092
  • C12N15: 294.110773904
  • C13N15: 304.144322282

InChI string: InChI=1S/C10H19N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6,13-14H,1-4,11-12H2,(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1

PubChem Compound (CID): 16950
CAS Registry number: 918149-29-8
MDL number: MFCD11656132
MMCD: cq_02035
CAS Registry number: 2387-71-5
Sigma-Aldrich: A5707_SIGMA
811: HMDB00052
ChemIDplus: 002387715
ChemSpider: 17346288
KEGG Compound ID: C03406
NIAID: 166734

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,