Structure Database (LMSD)

OH O
Common Name
Obtusilic acid
Systematic Name
4Z-decenoic acid
Synonyms
  • C10:1n-6
LM ID
LMFA01030199
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
FA 10:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XKZKQTCECFWKBN-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6-
SMILES (Click to copy)
C(CC/C=C\CCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lindera umbellata (#128640)
Magnoliopsida (#3398)
Fatty acids ofLindera umbellata and other Lauraceae seed oils.,
Lipids, 1966
Pubmed ID: 17805664

Other Databases

LIPIDAT ID
2761
HMDB ID
HMDB0004980
CHEBI ID
32380
PubChem CID
5312351
PlantFA ID
10020

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

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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
17th May 2022