Structure Database (LMSD)

Common Name
9,10-dihydroxy-2-decenoic acid
Systematic Name
9,10-dihydroxy-2E-decenoic acid
Synonyms
LM ID
LMFA01050428
Formula
C10H18O4
Exact Mass
Calculate m/z
202.12051
Sum Composition
FA 10:1;O2
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)
The absolute configurations of hydroxy fatty acids from the royal jelly of honeybees (Apis mellifera).,
Lipids, 2011
Pubmed ID: 21082360

String Representations

InChiKey (Click to copy)
LJVFDEUMLMNPKS-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14)/b7-5+
SMILES (Click to copy)
C(/C=C/CCCCCC(O)CO)(=O)O

Other Databases

CHEBI ID
183568
PubChem CID
25141159

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 211.44
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.50
Molar Refractivity 53.96

Admin

Created at
-
Updated at
24th Mar 2021