BMRB

Biological Magnetic Resonance Data Bank


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

Linoleic Acid

Graphical representations:

Linoleic Acid image

Molecular Formula: C18 H32 O2

Natural Isotopic Abundance Mass: 280.44548

Mono-Isotopic Molecular Masses:

  • C12N14: 280.2402302714
  • C13N14: 298.3006173518
  • C12N15: 280.2402302714
  • C13N15: 298.3006173518

InCHi String: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-

canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O

isomeric SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(9Z,12Z)-octadeca-9,12-dienoic acid

PubChem Substance (SID):   111677745   48110221   48425246
PubChem Compound (CID):   5280450
KEGG: Compound ID   C01595
CAS Registry IDs:   60-33-3
PDB Chemical Component   EIC
Miscellaneous Databases and IDs:   Sigma-Aldrich L1376_SIGMA   ChEBI CHEBI:17351   EPA DSSTox 33609   ChemBank BSPBio_001374   LipidMAPS LMFA01030120   SMID EIC   MMDB 60542.3   NIST Chemistry WebBook 353550409   MMCD cq_01041   MDL MFCD00064241

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.