Structure Database (LMSD)
Common Name
Pyrulic acid
Systematic Name
10E-heptadecen-8-ynoic acid
Synonyms
- 10-Heptadecen-8-ynoic acid, (E)-
- Leptomeric acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of Pyrulic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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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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
String Representations
InChiKey (Click to copy)
LRDHPEKBQXDTLO-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,11-16H2,1H3,(H,18,19)/b8-7+
SMILES (Click to copy)
C(CCCCCCC#C/C=C/CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
309.68
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.94
Molar Refractivity
81.01
Admin
Created at
-
Updated at
25th Apr 2022