Structure Database (LMSD)

Common Name
6Z,9E,11E-octadecatrienoic acid
Systematic Name
6Z,9E,11E-octadecatrienoic acid
Synonyms
  • (6Z,9E,11E)-octadeca-6,9,11-trienoic acid
LM ID
LMFA02000348
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)
ZVFWWMZFFBSDTB-UFGMRAMMSA-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/h7-10,12-13H,2-6,11,14-17H2,1H3,(H,19,20)/b8-7+,10-9+,13-12-
SMILES (Click to copy)
C(=C/C/C=C/C=C/CCCCCC)/CCCCC(=O)O

Other Databases

PubChem CID
101217323

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
19th Jun 2019
Updated at
19th Jun 2019