Structure Database (LMSD)

Common Name
Isodecenoic acid
Systematic Name
8-decenoic acid
Synonyms
  • C10:1n-2
LM ID
LMFA01030032
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
FA 10:1
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)
YBXSTMNNKQLBCD-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3H,4-9H2,1H3,(H,11,12)/b3-2+
SMILES (Click to copy)
C(/CCCCCCC(=O)O)=C\C

Other Databases

LIPIDBANK ID
DFA0071
PubChem CID
5282727

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

Admin

Created at
-
Updated at
25th Apr 2022