Structure Database (LMSD)

Common Name
9-oxo-2E-decenoic acid
Systematic Name
9-oxo-2E-decenoic acid
Synonyms
  • Queen substance
LM ID
LMFA01060082
Formula
C10H16O3
Exact Mass
Calculate m/z
184.109945
Sum Composition
FA 10:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Apis mellifera (#7460)
Insecta (#50557)
The Crystal Structure of Queen Substance, 9-Keto-trans-2-decenoic Acid, the Sex Pheromone of the Honeybee,
Acta Cryst B, 1972

String Representations

InChiKey (Click to copy)
INJRDZMWIAYEMM-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6+
SMILES (Click to copy)
C(/C=C/CCCCCC(=O)C)(=O)O

Other Databases

LIPIDAT ID
5962
CHEBI ID
165439
PubChem CID
1713086

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 200.01
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.17
Molar Refractivity 50.54

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Created at
-
Updated at
22nd Jun 2020