Structure Database (LMSD)

Common Name
7Z,10Z,13Z,16Z,19Z-eicosapentaenoic acid
Systematic Name
7Z,10Z,13Z,16Z,19Z-eicosapentaenoic acid
Synonyms
  • (7Z,10Z,13Z,16Z)-eicosa-7,10,13,16,19-pentaenoic acid
  • 20:5n-1
LM ID
LMFA03000019
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Sum Composition
FA 20:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Other Eicosanoids [FA0300]

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)
WXWWHMAUMNQUSF-GJDCDIHCSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2,4-5,7-8,10-11,13-14H,1,3,6,9,12,15-19H2,(H,21,22)/b5-4-,8-7-,11-10-,14-13-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\CC=C)CCC(O)=O

Other Databases

PubChem CID
87771207

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 356.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.99
Molar Refractivity 95.95

Admin

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