Biological Magnetic Resonance Data Bank

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

Graphical representations:


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Molecular Formula: C16H32O3

Natural Isotopic Abundance Mass: 272.42348

Mono-Isotopic Molecular Masses:

  • C12N14: 272.2351448935
  • C13N14: 288.2888222983
  • C12N15: 272.2351448935
  • C13N15: 288.2888222983

InChI string: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

PubChem Compound (CID): 10466
CAS Registry number: 506-13-8
Sigma-Aldrich: 177490_ALDRICH
ChEBI: CHEBI:55328
EINECS: 208-028-7
LipidMAPS: LMFA01050051
ChemDB: 5752896
ChemIDplus: 000506138
NIST: 2917536532
MMCD: cq_10346
MDL: MFCD00002750

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,