Structure Database (LMSD)

Common Name
10-Lauroleic acid
Systematic Name
10-dodecenoic acid
Synonyms
  • C12:1n-2
LM ID
LMFA01030042
Formula
Exact Mass
Calculate m/z
198.16198
Sum Composition
Status
Active

Classification

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)
AZCVFLMXESYPIR-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-3H,4-11H2,1H3,(H,13,14)/b3-2+
SMILES (Click to copy)
C(=C/C)\CCCCCCCCC(=O)O

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0081
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.77
Molar Refractivity 59.39

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Created at
-
Updated at
25th Apr 2022