Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Palmitoleic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C16H30O2

Natural Isotopic Abundance Mass: 254.4082

Mono-Isotopic Molecular Masses:

  • C12N14: 254.2245802072
  • C13N14: 270.278257612
  • C12N15: 254.2245802072
  • C13N15: 270.278257612

InChI string: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-

PubChem Compound (CID): 445638
CAS Registry number: 373-49-9
MMCD: cq_05052
Beilstein Registry Number: 1725389
MDL number: MFCD00004437
CAS Registry number: 373-49-9
Sigma-Aldrich: 76169_FLUKA
811: HMDB03229
ChEBI: CHEBI:28716
LipidMAPS: LMFA01030056
KEGG Compound ID: C08362
NIST: 4219806927

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,