Structure Database (LMSD)

Common Name
15E-octadecenoic acid
Systematic Name
15E-octadecenoic acid
Synonyms
  • trans-15-octadecenoic acid
  • C18:1n-3
LM ID
LMFA01030080
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
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]
Octadecanoids [FA02]

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)
KSIKGJKZYDOVFA-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3+
SMILES (Click to copy)
C(CCCC/C=C/CC)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
189754
LIPIDBANK ID
DFA0119
PubChem CID
5282763

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.11
Molar Refractivity 87.09

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Created at
-
Updated at
25th Apr 2022