Structure Database (LMSD)

HO O OH
Common Name
19-hydroxy-nonadecanoic acid
Systematic Name
19-hydroxy-nonadecanoic acid
Synonyms
LM ID
LMFA01050072
Formula
C19H38O3
Exact Mass
Calculate m/z
314.282095
Sum Composition
FA 19:0;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)
LSEAKSNIGVHVQY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O3/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h20H,1-18H2,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCO)CC(=O)O

References

Other Databases

CHEBI ID
79179
LIPIDBANK ID
DFA0338
PubChem CID
5282917

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 360.99
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.98
Molar Refractivity 93.70

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Updated at
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