Structure Database (LMSD)
Common Name
Scleropyric acid
Systematic Name
16-heptadecen-12-ynoic acid
Synonyms
- Heptadec-16-en-12-ynoic
3D model of Scleropyric 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
Scleropyrum wallichianum
(#1504490)
Magnoliopsida
(#3398)
New advances in fatty acids as antimalarial, antimycobacterial and antifungal agents.,
Prog Lipid Res, 2008
Prog Lipid Res, 2008
Pubmed ID:
18023422
String Representations
InChiKey (Click to copy)
ZYZKYZWHOHNYPG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-4,7-17H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCC#CCCC=C)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
326.98
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.33
Molar Refractivity
85.63
Admin
Created at
-
Updated at
25th Apr 2022