Structure Database (LMSD)

Common Name
3,10-dihydroxydecanoic acid
Systematic Name
3,10-dihydroxydecanoic acid
Synonyms
LM ID
LMFA01050429
Formula
C10H20O4
Exact Mass
Calculate m/z
204.13616
Sum Composition
FA 10:0;O2
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
WXCLDXYQUQDNDB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O4/c11-7-5-3-1-2-4-6-9(12)8-10(13)14/h9,11-12H,1-8H2,(H,13,14)
SMILES (Click to copy)
C(CC(O)CCCCCCCO)(=O)O

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

Other Databases

CHEBI ID
186714
PubChem CID
9859090

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 214.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.73
Molar Refractivity 54.05

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Updated at
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