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CHEBI:28801 - stearolic acid

ChEBI IDCHEBI:28801
ChEBI Namestearolic acid
Stars
DefinitionAn octadecynoic acid having its triple bond at position 9.
Secondary ChEBI IDsCHEBI:9255, CHEBI:20840
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCCCCCC#CCCCCCCCC(=O)O
InChIInChI=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)
InChIKeyRGTIBVZDHOMOKC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
stearolic acid (CHEBI:28801) is a octadecynoic acid (CHEBI:36034)
Incoming Relation(s)
9-octadecynoyl-CoA (CHEBI:53151) has functional parent stearolic acid (CHEBI:28801)
IUPAC Name 
octadec-9-ynoic acid
Synonyms  Source
Stearolic acidKEGG COMPOUND
9-Stearolic acidKEGG COMPOUND
9-octadecynoic acidNIST Chemistry WebBook
Δ9-octadecynoic acidChEBI
Octadec-9-insäureChEBI
9-ODAChEBI
Manual XrefsDatabases
C08459KEGG COMPOUND
LMFA01030455LIPID MAPS
C00001293KNApSAcK
Registry NumbersSources
Reaxys:1786634Reaxys
CAS:506-24-1KEGG COMPOUND
CAS:506-24-1NIST Chemistry WebBook
CAS:506-24-1ChemIDplus
Citations