Structure Database (LMSD)

Common Name
4E,6E-decadienoic acid
Systematic Name
4E,6E-decadienoic acid
Synonyms
  • trans-4, trans-6-decadienoic acid
  • C10:2n-4,6
LM ID
LMFA01030108
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PPOWOHYQDRHGKT-YTXTXJHMSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b5-4+,7-6+
SMILES (Click to copy)
CCC/C=C/C=C/CCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0147
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.76
Molar Refractivity 50.06

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

Admin

Created at
-
Updated at
25th Apr 2022