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
Status
Active
Exact Mass
Calculate m/z
280.24023
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

LIPIDBANK ID
DFA0161
PubChem CID
PlantFA ID
Cayman ID

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 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

Admin

Created at
-
Updated at
25th Apr 2022