Structure Database (LMSD)

Common Name
7Z-dodecenoic acid
Systematic Name
7Z-dodecenoic acid
Synonyms
  • C12:1n-5
LM ID
LMFA01030228
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
FA 12:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome.,
Nat Commun, 2023
Pubmed ID: 37402773
Macdunnoughia confusa (#254380)
Insecta (#50557)
Regulation of sex pheromone biosynthesis in three plusiinae moths: Macdunnoughia confusa, Anadevidia peponis, and Chrysodeixis eriosoma.,
Biosci Biotechnol Biochem, 2000
Pubmed ID: 11129587

String Representations

InChiKey (Click to copy)
MZNHSVOKYCWLPQ-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6H,2-4,7-11H2,1H3,(H,13,14)/b6-5-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC)(=O)O

Other Databases

LIPIDAT ID
3374
CHEBI ID
179203
PubChem CID
5312380
PlantFA ID
10030

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