Structure Database (LMSD)

Common Name
Stearolic acid
Systematic Name
9-octadecynoic acid
Synonyms
  • 9-Octadecynoic acid
  • 9-Stearolic acid
  • Steariolic acid
LM ID
LMFA01030455
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

Reactions

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ⓘ 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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pyrularia pubera (#3960)
Magnoliopsida (#3398)
Acetylenic fatty acids of Pyrularia pubera seed oil,
J. Chem. Soc. C, 1968

String Representations

InChiKey (Click to copy)
RGTIBVZDHOMOKC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCC#CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
1787
KEGG ID
C08459
CHEBI ID
28801
PubChem CID
68167
PlantFA ID
10073

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 85.72

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Created at
-
Updated at
25th Apr 2022