Structure Database (LMSD)

HO O OH
Common Name
3-hydroxy-16-methyl-heptadecanoic acid
Systematic Name
3-hydroxy-16-methyl-heptadecanoic acid
Synonyms
  • Heptadecanoic acid, 3-hydroxy-16-methyl-
LM ID
LMFA02000185
Formula
C18H36O3
Exact Mass
Calculate m/z
300.266445
Sum Composition
FA 18:0;O
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]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
GWLJUAYGDYEJLV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-17(19)15-18(20)21/h16-17,19H,3-15H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CC(O)CCCCCCCCCCCCC(C)C)(=O)O

References

Other Databases

PubChem CID
342516

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 343.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.45
Molar Refractivity 89.01

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Created at
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Updated at
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