D-Citrulline

D-Citrulline bmse000209 - Data bmst000175 - Theory

D_citrulline synonyms

DL-Ornithine, N(5)-(aminocarbonyl)-; Citrulline; Ornithine, N5-carbamoyl-, DL-; dl-Citrulline; Citrulline, (dl)

Wikipedia:

Graphical representations:

D_citrulline

View large 3D structure

Molecular Formula: C6H13N3O3

Natural Isotopic Abundance Mass: 175.1857200000

Mono-Isotopic Molecular Masses:

  • C12N14: 175.095691299
  • C13N14: 181.115820326
  • C12N15: 178.086795979
  • C13N15: 184.1069250056

InChI string: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1

IUPAC: 2-amino-5-(carbamoylamino)pentanoic acid

PubChem Compound (CID): 833
CAS Registry number: 13594-51-9
PDB Compound ID: CIR

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)