Structure Database (LMSD)

Common Name
cis,trans-hepta-2,4,6-trienoic acid
Systematic Name
2Z,4E,6-heptatrienoic acid
Synonyms
  • C7:3n-1,3,5
LM ID
LMFA01030782
Formula
C7H8O2
Exact Mass
Calculate m/z
124.05243
Sum Composition
FA 7:3
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]

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)
FUCUVXOXNOUYJN-ICWBMWKASA-N
InChi (Click to copy)
InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5-
SMILES (Click to copy)
O=C(/C=C\C=C\C=C)O

Other Databases

CHEBI ID
50487
PubChem CID
15335510

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 136.68
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.37
Molar Refractivity 36.11

Admin

Created at
-
Updated at
25th Apr 2022