Structure Database (LMSD)

Common Name
cis-dodec-3-enoic acid
Systematic Name
3Z-dodecenoic acid
Synonyms
  • (Z)-3-dodecenoic acid
  • C12:1n-9
LM ID
LMFA01030768
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

String Representations

InChiKey (Click to copy)
XZJZNZATFHOMSJ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h9-10H,2-8,11H2,1H3,(H,13,14)/b10-9-
SMILES (Click to copy)
C(=C/CCCCCCCC)/CC(=O)O

Other Databases

CHEBI ID
37207
PubChem CID
11966238

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

Admin

Created at
-
Updated at
25th Apr 2022