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
Exact Mass
Calculate m/z
284.27153
Sum Composition
Status
Active



Main

Classification

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

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0018
PubChem CID
PlantFA ID
Cayman ID
PDB ID
GuidePharm ID

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

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.
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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022