CHEBI:82759 - (S)-3-acetyloctanal

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ChEBI Name (S)-3-acetyloctanal ChEBI ID CHEBI:82759 ChEBI ASCII Name (S)-3-acetyloctanal Definition A ketoaldehyde that is octanal carrying an acetyl substituent at position 3 (the S-enantiomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18O2 Net Charge 0 Average Mass 170.24870 Monoisotopic Mass 170.13068 InChI InChI=1S/C10H18O2/c1-3-4-5-6-10(7-8-11)9(2)12/h8,10H,3-7H2,1-2H3/t10-/m0/s1 InChIKey BMGJNRYEOPZWHH-JTQLQIEISA-N SMILES CCCCC[C@@H](CC=O)C(C)=O ChEBI Ontology Outgoing (S)-3-acetyloctanal (CHEBI:82759) is a ketoaldehyde (CHEBI:24960) IUPAC Name (3S)-3-acetyloctanal Synonym Source (S)-3-acetyloctanal UniProt Manual Xref Database CPD-16994 MetaCyc View more database links Citations Types Sources 15853884 PubMed citation SUBMITTER 20669204 PubMed citation SUBMITTER Last Modified 28 October 2014