Structure Database (LMSD)
Common Name
Stearolic acid
Systematic Name
9-octadecynoic acid
Synonyms
- 9-Octadecynoic acid
- 9-Stearolic acid
- Steariolic acid
3D model of Stearolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
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
J. Chem. Soc. C, 1968
DOI:
10.1039/J39680002462
Other Databases
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
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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Admin
Created at
-
Updated at
25th Apr 2022