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CHEBI:197359 - cyclohexanecarbaldehyde

ChEBI IDCHEBI:197359
ChEBI Namecyclohexanecarbaldehyde
Stars
DefinitionAn aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1.
Last Modified27 September 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILES[H]C(=O)C1CCCCC1
InChIInChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKVFDZFBHBWTVID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gossypium hirsutum (ncbitaxon:3635) - DOI (10.1021/jf60200a011)
Roles Classification
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)
cyclohexanecarbaldehyde (CHEBI:197359) has role plant metabolite (CHEBI:76924)
cyclohexanecarbaldehyde (CHEBI:197359) is a aliphatic aldehyde (CHEBI:59768)
cyclohexanecarbaldehyde (CHEBI:197359) is a carbocyclic compound (CHEBI:33598)
IUPAC Name 
cyclohexanecarbaldehyde
Synonyms  Source
cyclohexanecarboxaldehydeNIST Chemistry WebBook
cyclohexancarboxaldehydeChEBI
cyclohexane-1-aldehydeChEBI
cyclohexylcarbaldehydeChEBI
hexahydrobenzaldehydeNIST Chemistry WebBook
1-cyclohexanecarboxaldehydeNIST Chemistry WebBook
UniProt Name  Source
cyclohexanecarbaldehydeUniProt
Manual XrefsDatabases
JP2005187352Patent
Registry NumbersSources
Reaxys:878306Reaxys
CAS:2043-61-0NIST Chemistry WebBook
Citations