Structure Database (LMSD)

Common Name
2E,6E,8E-decatrienoic acid
Systematic Name
2E,6E,8E-decatrienoic acid
Synonyms
  • C10:3n-2,4,8
LM ID
LMFA01030215
Formula
C10H14O2
Exact Mass
Calculate m/z
166.09938
Sum Composition
FA 10:3
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)
VBYOTISTNZJGRH-DTFLGMRGSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,11,12)/b3-2+,5-4+,9-8+
SMILES (Click to copy)
C(/C=C/CC/C=C/C=C/C)(=O)O

Other Databases

LIPIDAT ID
2696
CHEBI ID
188402
PubChem CID
5312367

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 188.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.54
Molar Refractivity 49.96

Admin

Created at
-
Updated at
25th Apr 2022