Exploring Phylogenetic Relationships between Hundreds of Plant Fatty Acids Synthesized by Thousands of Plants. more details ...

Delta notation: 22:1-delta-13t

Other Names: Brassidic acid;Trans-13-Docosenoic acid;(E)-13-Docosenoic acid;13-Docosenoic acid;506-33-2;13-Docosenoic acid, (E)-

Formula: C22H42O2

Mass: 338.32

IUPAC name: (E)-docos-13-enoic acid

13 docosenoic acid, (13e)
Structure drawn at OPSIN (opsin.ch.cam.uk)

External Database IDs:
CAS registry: 112-86-7;506-33-2
SOFA Mol:
Lipid Maps: LMFA01030090
PubChem: 5282772
ChEBI: 28792

inchi: InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+

stdinchi: InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+

stdinchikey: DPUOLQHDNGRHBS-MDZDMXLPSA-N

smiles: C(CCCCCCCCCCC\C=C\CCCCCCCC)(=O)O


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