Structure Database (LMSD)

OH O
Common Name
5,7,9,11,13-tetradecapentaenoic acid
Systematic Name
5,7,9,11,13-tetradecapentaenoic acid
Synonyms
  • C14:5n-1,3,5,7,9
LM ID
LMFA01030258
Formula
Exact Mass
Calculate m/z
218.13068
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
LQROPCHYRPLGPB-BYFNFPHLSA-N
InChi (Click to copy)
InChI=1S/C14H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-10H,1,11-13H2,(H,15,16)/b4-3+,6-5+,8-7+,10-9+
SMILES (Click to copy)
C(CCC/C=C/C=C/C=C/C=C/C=C)(=O)O

References

Other Databases

LIPIDAT ID
6355
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 252.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.65
Molar Refractivity 68.24

Reactions

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Created at
-
Updated at
25th Apr 2022