Structure Database (LMSD)

Common Name
Stearic acid
Systematic Name
octadecanoic acid
Synonyms
  • Cetylacetic acid
  • Stearate
  • n-Octadecanoic acid
  • Octadecanoate
  • C18:0
  • Lactaric acid
  • Talgic acid
  • Bassinic acid
  • Stearophanic acid
LM ID
LMFA01010018
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
FA 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Straight chain fatty acids [FA0101]
Octadecanoids [FA02]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
QIQXTHQIDYTFRH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC)CCCCCCCCC(=O)O

Other Databases

Wikipedia
Stearic acid
KEGG ID
C01530
HMDB ID
HMDB0000827
CHEBI ID
28842
LIPIDBANK ID
DFA0018
PubChem CID
5281
PlantFA ID
10066
Cayman ID
10011298
PDB ID
STE
GuidePharm ID
3377

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.33
Molar Refractivity 87.18

Admin

Created at
-
Updated at
25th Apr 2022