Structure Database (LMSD)

Common Name
3-decylenic acid
Systematic Name
3-decenoic acid
Synonyms
  • C10:1n-7
LM ID
LMFA01030030
Formula
Exact Mass
Calculate m/z
170.13068
Sum Composition
Status
Active


Classification

Reactions

Filter by species:
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)
CPVUNKGURQKKKX-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+
SMILES (Click to copy)
C(CCC/C=C/CC(=O)O)CC

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0069
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.99
Molar Refractivity 50.15

Admin

Created at
-
Updated at
25th Apr 2022