Structure Database (LMSD)

OH O
Common Name
10E,12Z-octadecadienoic acid
Systematic Name
10E,12Z-octadecadienoic acid
Synonyms
  • trans-10, cis-12-octadecadienoic acid
  • C18:2n-6,8
  • 10(E),12(Z)-ODE
LM ID
LMFA01030125
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
GKJZMAHZJGSBKD-NMMTYZSQSA-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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILES (Click to copy)
C(=C/C=C\CCCCC)\CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lactiplantibacillus plantarum (#1590)
Bacilli (#91061)
Polyunsaturated fatty acid saturation by gut lactic acid bacteria affecting host lipid composition.,
Proc Natl Acad Sci U S A, 2013
Pubmed ID: 24127592

Other Databases

CHEBI ID
44526
LIPIDBANK ID
DFA0164
PubChem CID
5282800
PlantFA ID
10783
Cayman ID
90145
PDB ID
ODD

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

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
5th Jan 2023