Structure Database (LMSD)

Common Name
(S)-lamenallenic acid
Systematic Name
5S,6,16E-octadecatrienoic acid
Synonyms
  • C18:3n-13
LM ID
LMFA01030776
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
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]
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)
IHBRXZJPXHXMCN-YWVDXFKGSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-3,12,14H,4-11,15-17H2,1H3,(H,19,20)/b3-2+/t13-/m1/s1
SMILES (Click to copy)
C(CCCCCC/C=C/C)CC=[C@@]=C([H])CCCC(=O)O

Other Databases

CHEBI ID
38413
PubChem CID
5312491

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.65
Molar Refractivity 85.89

Admin

Created at
-
Updated at
25th Apr 2022