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CHEBI:142275 - sedanonic acid

ChEBI IDCHEBI:142275
ChEBI Namesedanonic acid
Stars
DefinitionA cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted by a pentanoyl group at position 6.
Last Modified11 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCCCCC(=O)C1CCCC=C1C(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15)
InChIKeyPHVSWPDOXIQPTN-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)
sedanonic acid (CHEBI:142275) is a cyclohexenecarboxylic acid (CHEBI:23483)
sedanonic acid (CHEBI:142275) is a ketone (CHEBI:17087)
sedanonic acid (CHEBI:142275) is a oxo carboxylic acid (CHEBI:25754)
sedanonic acid (CHEBI:142275) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
6-pentanoylcyclohex-1-ene-1-carboxylic acid
Synonyms  Source
6-(1-oxopentyl)-1-cyclohexene-1-carboxylic acidHMDB
6-pentanoylcyclohexene-1-carboxylic acidChEBI
Manual XrefsDatabases
HMDB0032871HMDB
FDB010851FooDB
Registry NumbersSources
Reaxys:2107689Reaxys
CAS:6697-07-0FooDB
CAS:6697-07-0HMDB