Structure Database (LMSD)

Common Name
Lauroleinic acid
Systematic Name
5Z-dodecenoic acid
Synonyms
  • C12:1n-7
  • Denticetic acid
LM ID
LMFA01030226
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
Abbrev



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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
IJBFSOLHRKELLR-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
1759
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

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

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
9th Jun 2022