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. Supplier Information ChemicalBook:CB9854088, eMolecules:479058, ZINC000001641021 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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 Reaxys Registry Number Reaxys 66-25-1 CAS Registry Number ChemIDplus 66-25-1 CAS Registry Number NIST Chemistry WebBook Citations Last Modified 04 March 2019