BMRB

Biological Magnetic Resonance Data Bank


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

L-homocitrulline

Graphical representations:

L-homocitrulline image

Molecular Formula: C7 H15 N3 O3

Natural Isotopic Abundance Mass: 189.2123

Mono-Isotopic Molecular Masses:

  • C12N14: 189.1113413634
  • C13N14: 196.134825228
  • C12N15: 192.102446043
  • C13N15: 199.1259299076

InCHi String:

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

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

PUBCHEM iupac NAME
(2S)-2-amino-6-(carbamoylamino)hexanoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
(2S)-2-amino-6-ureido-hexanoic acid

PUBCHEM iupac CAS NAME
(2S)-2-amino-6-ureidohexanoic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-amino-6-(aminocarbonylamino)hexanoic acid

PubChem Substance (SID):   85165231   207029   43121912
PubChem Compound (CID):   65072
KEGG: Compound ID   C02427
CAS Registry IDs:   1190-49-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:17443   ChemIDplus 001190494   ChemSpider 58582   EINECS 214-722-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.