Structure Database (LMSD)

Common Name
Bishomocolumbinic acid
Systematic Name
7Z,11Z,14E-eicosatrienoic acid
Synonyms
  • C20:3n-6,9,13
LM ID
LMFA01030385
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
FA 20:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
PTZVBFWVXXLKST-RLCBDCDRSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,13-14H,2-5,8,11-12,15-19H2,1H3,(H,21,22)/b7-6+,10-9-,14-13-
SMILES (Click to copy)
C(CCCCC/C=C\CC/C=C\C/C=C/CCCCC)(=O)O

Other Databases

LIPIDAT ID
3512
PubChem CID
5312535

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 361.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.44
Molar Refractivity 96.13

Admin

Created at
-
Updated at
25th Apr 2022