Structure Database (LMSD)

Common Name
8Z,11Z,14Z-octadecatrienoic acid
Systematic Name
8Z,11Z,14Z-octadecatrienoic acid
Synonyms
  • (8Z,11Z,14Z)-octadeca-8,11,14-trienoic acid
  • 18:3n-4
LM ID
LMFA02000350
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mortierella alpina (#64518)
Mortierellomycetes (#2212732)
Polyunsaturated fatty acids production and transformation by Mortierella alpina and anaerobic bacteria,
Eur J Lipid Sci, 2012

String Representations

InChiKey (Click to copy)
CTMZJQAVRYEWHS-YSTUJMKBSA-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/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4-,8-7-,11-10-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\CCC)CCC(O)=O

Other Databases

PubChem CID
6433423

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

Admin

Created at
20th Jun 2019
Updated at
20th Jun 2019