BMRB

Biological Magnetic Resonance Data Bank


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

DL-2-Aminoadipic acid

Graphical representations:

DL-2-Aminoadipic acid image

Molecular Formula: C6 H11 N O4

Natural Isotopic Abundance Mass: 161.15584

Mono-Isotopic Molecular Masses:

  • C12N14: 161.0688078467
  • C13N14: 167.0889368735
  • C12N15: 162.0658427399
  • C13N15: 168.0859717667

InCHi String: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)

canonical and isomeric SMILES: C(CC(C(=O)O)N)CC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-aminohexanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-aminoadipic acid

PubChem Substance (SID):   85165218   5007732   24890441
PubChem Compound (CID):   469
KEGG: Compound ID   n/a
CAS Registry IDs:   542-32-5
PDB Chemical Component   UN1
Miscellaneous Databases and IDs:   Sigma-Aldrich A0637_SIGMA   ChEBI CHEBI:37024   BioCyc CPD-468   ChemIDplus 000542325   ChemSpider 13860602   EINECS 208-809-2   NIST 229932155   CambridgeSoft Corporation 428   Beilstein Handbook Reference 2-04-00-00913   ChemDB 3967173

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.