Structure Database (LMSD)

Common Name
Z,Z-Matricaric acid
Systematic Name
2Z,8Z-Decadiene-4,6-diynoic acid
Synonyms
  • 2,8-Decadiene-4,6-diynoic acid, (Z,Z)-
  • Deca-2c,8c-dien-4,6-diynoic acid
  • 2c,8c-Decadiene-4,6-diynoic acid
LM ID
LMFA01031101
Formula
C10H8O2
Exact Mass
Calculate m/z
160.05243
Sum Composition
FA 10:6
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)
XFJJYWHEBHHXPH-FUOWLQLWSA-N
InChi (Click to copy)
InChI=1S/C10H8O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,8-9H,1H3,(H,11,12)/b3-2-,9-8-
SMILES (Click to copy)
C(/C=C\C#CC#C/C=C\C)(=O)O

Other Databases

PubChem CID
118046733
PlantFA ID
10509

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 180.66
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.21
Molar Refractivity 47.14

Admin

Created at
-
Updated at
25th Apr 2022