Structure Database (LMSD)

Common Name
DL-9-hydroxy stearic acid
Systematic Name
9-hydroxy-octadecanoic acid
Synonyms
  • 9-HODA
  • 9-HSA
LM ID
LMFA02000127
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

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malassezia furfur (#55194)
Malasseziomycetes (#1538075)
A study of the fatty acid metabolism of the yeast Pityrosporum ovale.,
Biochem J, 1968
Pubmed ID: 5691082
Homo sapiens (#9606)
Mammalia (#40674)
Identification of the peroxidation product hydroxystearic acid in Lewis lung carcinoma cells.,
Biochem Biophys Res Commun, 1991
Pubmed ID: 1872846

String Representations

InChiKey (Click to copy)
RKHXDCVAPIMDMG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCC(O)CCCCCCCCC)CC(=O)O

Other Databases

HMDB ID
HMDB0061661
CHEBI ID
136638
PubChem CID
9570127
PlantFA ID
10263
Cayman ID
18016
GuidePharm ID
13240

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 343.69
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.59
Molar Refractivity 89.08

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Created at
-
Updated at
18th Nov 2024