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
Status
Active
Exact Mass
Calculate m/z
278.22458
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)
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

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

Other Databases

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

Admin

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