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CHEBI:61391 - (S)-chaulmoogric acid

ChEBI IDCHEBI:61391
ChEBI Name(S)-chaulmoogric acid
Stars
DefinitionThe (S)-enantiomer of chaulmoogric acid.
Last Modified28 July 2014
Submitterzjosephs
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESO=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1
InChIInChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1
InChIKeyXMVQWNRDPAAMJB-QGZVFWFLSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(S)-chaulmoogric acid (CHEBI:61391) is a chaulmoogric acid (CHEBI:27939)
IUPAC Name 
13-[(1S)-cyclopent-2-en-1-yl]tridecanoic acid
Synonyms  Source
(S)-2-Cyclopentene-1-tridecanoic acidChEBI
13-[(S)-Cyclopent-2-enyl]-tridecansaüreChEBI
13-[(S)-cyclopent-2-enyl]-tridecanoic acidChEBI
(S)-13-(cyclopent-2-en-1-yl)tridecanoic acidChEBI
acide (S)-chaulmoogriqueChEBI
ácido (S)-chaulmógricoChEBI
Manual XrefsDatabases
C00001212KNApSAcK
C08282KEGG COMPOUND
Registry NumbersSources
Reaxys:6793245Reaxys
CAS:29106-32-9ChemIDplus
CAS:29106-32-9KEGG COMPOUND