Structure Database (LMSD)

O OH O OH
Common Name
10-oxo-13-hydroxy-11-octadecenoic acid
Systematic Name
13-hydroxy-10-oxo-11E-octadecenoic acid
Synonyms
  • 10-oxo-13-hydroxy-11E-octadecenoic acid
LM ID
LMFA02000249
Formula
C18H32O4
Exact Mass
Calculate m/z
312.23006
Sum Composition
FA 18:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
CZGIUGHMJZYXNX-CCEZHUSRSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h14-16,19H,2-13H2,1H3,(H,21,22)/b15-14+
SMILES (Click to copy)
C(=O)(/C=C/C(O)CCCCC)CCCCCCCCC(=O)O

References

Other Databases

HMDB ID
HMDB0040900
CHEBI ID
138786
PubChem CID
5283009

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 347.20
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.54
Molar Refractivity 89.38

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Created at
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Updated at
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