Structure Database (LMSD)

Common Name
16E-octadecenoic acid
Systematic Name
16E-octadecenoic acid
Synonyms
  • trans-16-octadecenoic acid
  • C18:1n-2
LM ID
LMFA01030081
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 graph legend

String Representations

InChiKey (Click to copy)
DPUHOWDIWWPPIP-NSCUHMNNSA-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/h2-3H,4-17H2,1H3,(H,19,20)/b3-2+
SMILES (Click to copy)
C(CCCCC/C=C/C)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
196196
LIPIDBANK ID
DFA0120
PubChem CID
5282764

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