Structure Database (LMSD)

Common Name
9E,12Z-octadecadienoic acid
Systematic Name
9E,12Z-octadecadienoic acid
Synonyms
  • trans-9, cis-12-octadecadienoic acid
  • C18:2n-6,9
LM ID
LMFA01030122
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
OYHQOLUKZRVURQ-IXWMQOLASA-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/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C/C/C=C\CCCCC

Other Databases

CHEBI ID
196531
LIPIDBANK ID
DFA0161
PubChem CID
5282798
PlantFA ID
10700
Cayman ID
10005146

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
-
Updated at
25th Apr 2022