Structure Database (LMSD)

Common Name
9,12-hexadecadienoic acid
Systematic Name
9,12-hexadecadienoic acid
Synonyms
  • C16:2n-4,7
LM ID
LMFA01030109
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
FA 16:2
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)
RVEKLXYYCHAMDF-AOSYACOCSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,17,18)/b5-4+,8-7+
SMILES (Click to copy)
C(/C/C=C/CCC)=C\CCCCCCCC(=O)O

Other Databases

CHEBI ID
165489
LIPIDBANK ID
DFA0148
PubChem CID
5282787

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.10
Molar Refractivity 77.76

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Created at
-
Updated at
25th Apr 2022