Structure Database (LMSD)

Common Name
6,9,12-Hexadecatrienoic acid
Systematic Name
6,9,12-Hexadecatrienoic acid
Synonyms
LM ID
LMFA01031092
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
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)
SBEXLJDCZSJDLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCC=CCC=CCC=CCCC)(=O)O

Other Databases

PubChem CID
54296589
PlantFA ID
10404

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 292.38
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 77.67

Admin

Created at
-
Updated at
25th Apr 2022