hexanal
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http://purl.obolibrary.org/obo/CHEBI_88528
A saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde.
Term info
Label
hexanal
Synonyms
- hexanal
Subsets
3_STAR
charge
0
formula
C6H12O
has obo namespace
chebi_ontology
has related synonym
N-Hexanal, n-C5H11CHO, 1-Hexanal, Caproic aldehyde, n-Caproic aldehyde, N-Hexylaldehyde, Caproaldehyde, Hexaldehyde, Hexanaldehyde, Hexoic aldehyde, C6 aldehyde, N-Caproaldehyde, Hexan-1-al, Aldehyde C-6, Hexylaldehyde
id
CHEBI:88528
inchi
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
inchikey
JARKCYVAAOWBJS-UHFFFAOYSA-N
mass
100.159
monoisotopicmass
100.08882
smiles
C(CCC)CC([H])=O
Term relations
Subclass of:
- medium-chain fatty aldehyde
- saturated fatty aldehyde
- n-alkanal
- has parent hydride some hexane
- has role some human urinary metabolite