Structure Database (LMSD)

Common Name
9E,12Z,15Z-octadecatrienoic acid
Systematic Name
9E,12Z,15Z-octadecatrienoic acid
Synonyms
  • C18:3n-3,6,9
LM ID
LMFA01030350
Status
Active
Exact Mass
Calculate m/z
278.22458
Formula
Abbrev


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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)
DTOSIQBPPRVQHS-FVCZIJCZSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9+
SMILES (Click to copy)
C(CCCCCCC/C=C/C/C=C\C/C=C\CC)(=O)O

References

Other Databases

LIPIDAT ID
5707
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.90

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022