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> Main
CHEBI:88528 - hexanal
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ChEBI Name
hexanal
ChEBI ID
CHEBI:88528
Definition
A saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H12O
Net Charge
0
Average Mass
100.159
Monoisotopic Mass
100.08882
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
InChIKey
JARKCYVAAOWBJS-UHFFFAOYSA-N
SMILES
C(CCC)CC([H])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
1-Hexanal
ChemIDplus
Aldehyde C-6
ChemIDplus
C6 aldehyde
ChemIDplus
Caproaldehyde
HMDB
Caproic aldehyde
LIPID MAPS
Hexaldehyde
HMDB
Hexaldehyde
ChemIDplus
Hexan-1-al
NIST Chemistry WebBook
hexanal
UniProt
Hexanaldehyde
HMDB
Hexoic aldehyde
ChemIDplus
Hexylaldehyde
HMDB
n-C5H11CHO
NIST Chemistry WebBook
N-Caproaldehyde
HMDB
n-Caproic aldehyde
ChemIDplus
N-Hexanal
HMDB
N-Hexylaldehyde
HMDB
Manual Xrefs
Databases
C00000357
KNApSAcK
Hexanal
Wikipedia
HEXANAL
MetaCyc
HMDB0005994
HMDB
LMFA06000109
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
506198
Beilstein Registry Number
ChemIDplus
506198
Reaxys Registry Number
Reaxys
66-25-1
CAS Registry Number
ChemIDplus
66-25-1
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17487452
PubMed citation
Europe PMC
19167006
PubMed citation
Europe PMC
22284503
PubMed citation
Europe PMC
27025353
PubMed citation
Europe PMC
Last Modified
04 March 2019