Structure Database (LMSD)

OH O
Common Name
9-hendecenoic acid
Systematic Name
9-undecenoic acid
Synonyms
  • 9-undecylenic acid
  • C11:1n-2
LM ID
LMFA01030035
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
FA 11:1
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)
QDRSJFZQMOOSAF-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-3H,4-10H2,1H3,(H,12,13)/b3-2+
SMILES (Click to copy)
C(/C)=C\CCCCCCCC(=O)O

References

Other Databases

CHEBI ID
39452
LIPIDBANK ID
DFA0074
PubChem CID
517344

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 211.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.38
Molar Refractivity 54.77

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022