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 100.089
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.
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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 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 Waiting for 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
16 June 2017