BMRB

Biological Magnetic Resonance Data Bank


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

Methyl (10E,12Z)-octadeca-10,12-dienoate

Methyl (10E,12Z)-octadeca-10,12-dienoate synonyms

methyl 10-trans,12-cis-octadecadienoate, 10E,12Z-conjugated linoleic acid methyl ester

Wikipedia:

Graphical representations:

methyl (10E,12Z)-octadeca-10,12-dienoate image

View large 3D structure

Molecular Formula: C19H34O2

Natural Isotopic Abundance Mass: 294.472060000001

Mono-Isotopic Molecular Masses:

  • C12N14: 294.255880328001
  • C13N14: 313.319622250001
  • C12N15: 294.255880328001
  • C13N15: 313.319622250001

InChI String: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773