BMRB

Biological Magnetic Resonance Data Bank


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

Undecanedioic Acid

Graphical representations:

undecanedioic acid image

Molecular Formula: C11 H20 O4

Natural Isotopic Abundance Mass: 216.2741

Mono-Isotopic Molecular Masses:

  • C12N14: 216.1361591304
  • C13N14: 227.1730623462
  • C12N15: 216.1361591304
  • C13N15: 227.1730623462

InCHi String: InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

canonical and isomeric SMILES: C(CCCCC(=O)O)CCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
undecanedioic acid

PubChem Substance (SID):   126596887   24850703   24850703
PubChem Compound (CID):   15816
KEGG: Compound ID   n/a
CAS Registry IDs:   1852-04-6   138950-82-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 1852-04-6   MMCD cq_10830   Beilstein Registry Number 1780537   MDL number MFCD00004444   Sigma-Aldrich 177962_ALDRICH   LipidMAPS LMFA01170007   ChemIDplus 001852046   EINECS 217-440-6   ChemDB 6681588   NIST 2263764737

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.