BMRB

Biological Magnetic Resonance Data Bank


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

undecanoic acid

Graphical representations:

undecanoic acid image

Molecular Formula: C11 H22 O2

Natural Isotopic Abundance Mass: 186.29118

Mono-Isotopic Molecular Masses:

  • C12N14: 186.1619799504
  • C13N14: 197.1988831662
  • C12N15: 186.1619799504
  • C13N15: 197.1988831662

InCHi String: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

canonical and isomeric SMILES: CCCCCCCCCCC(=O)O

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

PubChem Substance (SID):   85165343   24850347   7849665
PubChem Compound (CID):   8180
KEGG: Compound ID   n/a
CAS Registry IDs:   112-37-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 171476_ALDRICH   ChEBI CHEBI:32368   ChemBank NCIOpen2_009435   ChemIDplus 000112378   ChemSpider 11212682   MMDB 14684.2   EINECS 203-964-2   DTP/NCI 7885   EPA DSSTox 21690   LipidMAPS LMFA01010011   Beilstein Handbook Reference 4-02-00-01068   ChemDB 3969385   NIST Chemistry WebBook 4019242151   MMCD cq_10848   MDL MFCD00002730

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.