Biological Magnetic Resonance Data Bank

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


Graphical representations:

L-Arginine image

View large 3D structure

Molecular Formula: C6 H14 N4 O2

Natural Isotopic Abundance Mass: 174.2009600000

Mono-Isotopic Molecular Masses:

  • C12N14: 174.111675714
  • C13N14: 180.131804741
  • C12N15: 178.099815287
  • C13N15: 184.119944314

InChI String: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

isomeric SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N

canonical SMILES: C(CC(C(=O)O)N)CN=C(N)N

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
(2S)-2-amino-5-guanidino-pentanoic acid

PubChem Substance (SID):   85164878   149262   3362
PubChem Compound (CID):   6322
KEGG: Compound ID   C00062
CAS Registry IDs:   142-49-4   7004-12-8   74-79-3
PDB Chemical Component   ARG   ARG_LFOH
Miscellaneous Databases and IDs:   CHEBI 16467   Beilstein Handbook Reference 4-04-00-02648   CCRIS 3609   HSDB 1429   EINECS 200-811-1   NSC 206269

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,