CHEBI:88822 - 3-Methylhexanal

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ChEBI Name 3-Methylhexanal ChEBI ID CHEBI:88822 Stars This entity has been manually annotated by a third party. 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 C7H14O Net Charge 0 Average Mass 114.186 Monoisotopic Mass 114.10447 InChI InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 InChIKey ZSJUABCTGCNBPF-UHFFFAOYSA-N SMILES CCCC(C)CC=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 3-Methylhexanal (CHEBI:88822) is a saturated fatty aldehyde (CHEBI:133249) Synonyms Sources 3-Methyl-Hexanal HMDB 3-methylhexanal HMDB Manual Xref Database HMDB0032405 HMDB View more database links Registry Number Type Source 19269-28-4 CAS Registry Number KEGG COMPOUND Citation Type Source 17314143 PubMed citation Europe PMC Last Modified 14 December 2016