Structure Database (LMSD)

Common Name
cis-Lachnophyllic acid
Systematic Name
2Z-decene-4,6-diynoic acid
Synonyms
LM ID
LMFA01031040
Formula
C10H10O2
Exact Mass
Calculate m/z
162.06808
Sum Composition
FA 10:5
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)
LGRWEGSQTDGYDD-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C10H10O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-3H2,1H3,(H,11,12)/b9-8-
SMILES (Click to copy)
C(/C=C\C#CC#CCCC)(=O)O

Other Databases

CHEBI ID
187488
PubChem CID
131839747
PlantFA ID
10023

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 183.3
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.43
Molar Refractivity 47.24

Admin

Created at
-
Updated at
25th Apr 2022