Biological Magnetic Resonance Data Bank

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

Graphical representations:


View large 3D structure

Molecular Formula: C18H34O2

Natural Isotopic Abundance Mass: 282.46136

Mono-Isotopic Molecular Masses:

  • C12N14: 282.2558803356
  • C13N14: 300.316267416
  • C12N15: 282.2558803356
  • C13N15: 300.316267416

InChI string: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

MMDB: 35610.4
PubChem Compound (CID): 637517
CAS Registry number: 112-79-8 2027-47-6
Sigma-Aldrich: E4637_SIGMA
ChEBI: CHEBI:36021
LipidMAPS: LMFA01030073
NMRShiftDB: 10016910
KEGG Compound ID: C01712
NIST Chemistry WebBook: 1040850725
NIST: 3299509201
MMCD: cq_01098
MDL: MFCD00063954
PDB Compound ID: ELA 9CL ABN

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,