Structure Database (LMSD)

Common Name
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid
Systematic Name
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid
Synonyms
LM ID
LMFA01050121
Formula
C20H38O5
Exact Mass
Calculate m/z
358.271925
Sum Composition
FA 20:1;O3
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
BHDZXVBBVBHNKG-FOCLMDBBSA-N
InChi (Click to copy)
InChI=1S/C20H38O5/c1-3-5-9-12-17(21)15-16-19(25-4-2)18(22)13-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
SMILES (Click to copy)
C(OCC)(/C=C/C(O)CCCCC)C(O)CCCCCCCC(=O)O

References

Other Databases

CHEBI ID
165418
LIPIDBANK ID
DFA8018
PubChem CID
5282955

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 393.23
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.21
Molar Refractivity 102.69

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Created at
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Updated at
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