Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C6H14N4O2

Natural Isotopic Abundance Mass: 174.2009600000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1/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/f/h11H,8-9H2

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

PubChem Compound (CID): 6322
KEGG Compound ID: C00062
CAS Registry number: 142-49-4 7004-12-8 74-79-3
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.

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,