Structure Database (LMSD)

Common Name
9S-hydroxy-2E-decenoic acid
Systematic Name
9S-hydroxy-2E-decenoic acid
Synonyms
  • 2-Decenoic acid, 9-hydroxy-, [S-(E)]-
  • (S,E)-(+)-9-Hydroxy-2-decenoic acid
LM ID
LMFA01050250
Formula
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
FA 10:1;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]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Apis mellifera (#7460)
Insecta (#50557)
Semiochemical basis of the retinue response to queen honey bees,
Nature, 1988

String Representations

InChiKey (Click to copy)
DZBLNYYGAKHAOJ-ORZBULNSSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8-9,11H,2-5,7H2,1H3,(H,12,13)/b8-6+/t9-/m0/s1
SMILES (Click to copy)
C(/C=C/CCCCC[C@@H](O)C)(=O)O

Other Databases

LIPIDAT ID
4562
CHEBI ID
180142
PubChem CID
5312803

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 202.65
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.24
Molar Refractivity 52.05

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Updated at
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