Structure Database (LMSD)

Common Name
Scleropyric acid
Systematic Name
16-heptadecen-12-ynoic acid
Synonyms
  • Heptadec-16-en-12-ynoic
LM ID
LMFA01031135
Status
Active
Exact Mass
Calculate m/z
278.22458
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)
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

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
Pubmed ID: 18023422

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

Reactions

Filter by species:
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.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022