Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C18H36O2

Natural Isotopic Abundance Mass: 284.47724

Mono-Isotopic Molecular Masses:

  • C12N14: 284.2715303998
  • C13N14: 302.3319174802
  • C12N15: 284.2715303998
  • C13N15: 302.3319174802

InChI string: InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

PubChem Compound (CID): 5281
CAS Registry number: 68937-76-8 57-11-4 609343-71-7
Sigma-Aldrich: S4751_SIGMA
ChEBI: CHEBI:28842
CambridgeSoft Corporation: 9078
EPA DSSTox: 33994
LipidMAPS: LMFA01010018
ChemIDplus: 068937768
ChemSpider: 13887892
MMDB: 58704.4
EINECS: 273-087-8
KEGG Compound ID: D00119
DTP/NCI: 25956
NIST Chemistry WebBook: 1786862761
MMCD: cq_00998
MDL: MFCD00002752
PDB Compound ID: STE

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,