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CHEBI:82759 - (S)-3-acetyloctanal

Default Structure
ChEBI IDCHEBI:82759
ChEBI Name(S)-3-acetyloctanal
Stars
ASCII Name(S)-3-acetyloctanal
DefinitionA ketoaldehyde that is octanal carrying an acetyl substituent at position 3 (the S-enantiomer).
Last Modified28 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILES[H]C(=O)C[C@H](CCCCC)C(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(7-8-11)9(2)12/h8,10H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyBMGJNRYEOPZWHH-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-3-acetyloctanal (CHEBI:82759) is a ketoaldehyde (CHEBI:24960)
IUPAC Name 
(3S)-3-acetyloctanal
UniProt Name  Source
(S)-3-acetyloctanalUniProt
Manual XrefsDatabases
CPD-16994MetaCyc
Citations