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CHEBI:88528 - hexanal

ChEBI IDCHEBI:88528
ChEBI Namehexanal
Stars
DefinitionA saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde.
Last Modified4 March 2019
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILES[H]C(=O)CCCCC
InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
InChIKeyJARKCYVAAOWBJS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (19167006)
urine (BTO:0001419) PubMed (22284503)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
hexanal (CHEBI:88528) has parent hydride hexane (CHEBI:29021)
hexanal (CHEBI:88528) has role human urinary metabolite (CHEBI:84087)
hexanal (CHEBI:88528) is a n-alkanal (CHEBI:12834)
hexanal (CHEBI:88528) is a medium-chain fatty aldehyde (CHEBI:142621)
hexanal (CHEBI:88528) is a saturated fatty aldehyde (CHEBI:133249)
IUPAC Name 
hexanal
Synonyms  Source
HexaldehydeHMDB
N-CaproaldehydeHMDB
Caproic aldehydeLIPID MAPS
N-HexanalHMDB
N-HexylaldehydeHMDB
HexanaldehydeHMDB
UniProt Name  Source
hexanalUniProt
Manual XrefsDatabases
HMDB0005994HMDB
C00000357KNApSAcK
LMFA06000109LIPID MAPS
HEXANALMetaCyc
HexanalWikipedia
Registry NumbersSources
Reaxys:506198Reaxys
CAS:66-25-1ChemIDplus
CAS:66-25-1NIST Chemistry WebBook
Citations