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
Status
Active
Exact Mass
Calculate m/z
284.27153
Formula
Abbrev




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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
PubChem CID
PlantFA ID
Cayman 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

Admin

Created at
-
Updated at
-