Structure Database (LMSD)

Common Name
3E-hexadecenoic acid
Systematic Name
3E-hexadecenoic acid
Synonyms
  • C16:1n-13
LM ID
LMFA01030266
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
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)
PCBKWKNYISJGPJ-BUHFOSPRSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13+
SMILES (Click to copy)
C(C/C=C/CCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
1756
CHEBI ID
142241
PubChem CID
5312418
PlantFA ID
10312

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

Admin

Created at
-
Updated at
25th Apr 2022