Structure Database (LMSD)

Common Name
cis-delta-octenoic acid
Systematic Name
5Z-octenoic acid
Synonyms
  • cis-5-octenoic acid
  • C8:1n-3
LM ID
LMFA01030022
Status
Active
Exact Mass
Calculate m/z
142.09938
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)
RRGOKSYVAZDNKR-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h3-4H,2,5-7H2,1H3,(H,9,10)/b4-3-
SMILES (Click to copy)
C(CC/C=C\CC)C(=O)O

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0061
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 159.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.21
Molar Refractivity 40.92

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