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CHEBI:66440 - scleropyric acid

ChEBI IDCHEBI:66440
ChEBI Namescleropyric acid
Stars
DefinitionA straight-chain fatty acid that is heptadecanoic acid with a terminal double bond and a triple bond at position 12. Isolated from the twigs of Scleropyrum wallichianum, it exhibits antimycobacterial and antiplasmodial activities.
Last Modified28 June 2013
DownloadsMolfile
FormulaC17H28O2
Net Charge0
Average Mass264.409
Monoisotopic Mass264.20893
SMILESC=CCCC#CCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-4,7-16H2,(H,18,19)
InChIKeyPZTFGAULNIGNTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scleropyrum wallichianum (IPNI:780657-1) twig (BTO:0001411) PubMed (16204994)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
Applications:
antimycobacterial drug  A drug used to treat or prevent infections caused by Mycobacteria, a genus of actinobacteria. Aerobic and nonmotile, members of the genus include the pathogens responsible for causing tuberculosis and leprosy.
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
ChEBI Ontology
Outgoing Relation(s)
scleropyric acid (CHEBI:66440) has role antimycobacterial drug (CHEBI:64912)
scleropyric acid (CHEBI:66440) has role antiplasmodial drug (CHEBI:64915)
scleropyric acid (CHEBI:66440) has role metabolite (CHEBI:25212)
scleropyric acid (CHEBI:66440) is a acetylenic fatty acid (CHEBI:25380)
scleropyric acid (CHEBI:66440) is a long-chain fatty acid (CHEBI:15904)
scleropyric acid (CHEBI:66440) is a straight-chain fatty acid (CHEBI:59202)
IUPAC Name 
heptadec-16-en-12-ynoic acid
Registry NumbersSources
Reaxys:10185191Reaxys
Citations