Structure Database (LMSD)

Common Name
6E-Hexadecenoic acid
Systematic Name
6E-Hexadecenoic acid
Synonyms
  • 6-Hexadecenoic acid, (6E)-
  • 6-Hexadecenoic acid, (E)-
  • trans-6-Hexadecenoic acid
LM ID
LMFA01031082
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)
NNNVXFKZMRGJPM-ZHACJKMWSA-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/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10+
SMILES (Click to copy)
C(CCCC/C=C/CCCCCCCCC)(=O)O

Other Databases

HMDB ID
HMDB0031053
CHEBI ID
165483
PubChem CID
5282744
PlantFA ID
10437

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 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

Admin

Created at
-
Updated at
25th Apr 2022