Structure Database (LMSD)

Common Name
9,10-dihydroxystearic acid
Systematic Name
9,10-dihydroxy-octadecanoic acid
Synonyms
  • Dihydroxystearic acid
  • 9,10-DiHODA
LM ID
LMFA02000142
Formula
C18H36O4
Exact Mass
Calculate m/z
316.26136
Sum Composition
FA 18:0;O2
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
Homo sapiens (#9606)
Mammalia (#40674)
Effects of epoxy stearic acid on lipid metabolism in HepG2 cells,
J Food Sci, 2020

String Representations

InChiKey (Click to copy)
VACHUYIREGFMSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCC)CCCC(O)C(O)CCCCCCCC(=O)O

Other Databases

CHEBI ID
28724
PubChem CID
89377
PlantFA ID
10296
SwissLipids ID
SLM:000501371
Cayman ID
28612

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 90.99

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Created at
-
Updated at
18th Nov 2024