Structure Database (LMSD)

Common Name
8Z,11Z-octadecadienoic acid
Systematic Name
8Z,11Z-octadecadienoic acid
Synonyms
  • cis-8, cis-11-octadecadienoic acid
  • C18:2n-7,10
LM ID
LMFA01030116
Formula
Exact Mass
Calculate m/z
280.240231
Sum Composition
Status
Curated

Classification

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sus scrofa (#9823)
Mammalia (#40674)
STRUCTURES OF THE ESTER-LINKED MONO- AND DIUNSATURATED FATTY ACIDS OF PIG BRAIN.,
J Lipid Res, 1964
Pubmed ID: 14173337
Homo sapiens (#9606)
Mammalia (#40674)
A Facile Workflow for Sebum Fatty Acids and Squalene Identification via Advanced Lipidomic Methodologies.,
Anal Chem, 2025
Pubmed ID: 40314595

String Representations

InChiKey (Click to copy)
WBTBKRBXTLZUJG-NQLNTKRDSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7-,11-10-
SMILES (Click to copy)
C(=C/C/C=C\CCCCCC)/CCCCCCC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0155
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

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Created at
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Updated at
25th Apr 2022