Structure Database (LMSD)

OH O OH
Common Name
2-hydroxy-heptadecanoic acid
Systematic Name
2-hydroxy-heptadecanoic acid
Synonyms
LM ID
LMFA01050052
Formula
C17H34O3
Exact Mass
Calculate m/z
286.250795
Sum Composition
FA 17:0;O
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)
KUZABABLVHWUGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)C(O)C(=O)O

References

Other Databases

CHEBI ID
84854
LIPIDBANK ID
DFA0318
PubChem CID
5282906

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.39
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.20
Molar Refractivity 84.47

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Created at
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Updated at
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