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CHEBI:89870 - Octyl 2-methylbutyrate

ChEBI IDCHEBI:89870
ChEBI NameOctyl 2-methylbutyrate
Stars
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCCOC(=O)C(C)CC
InChIInChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3
InChIKeyBCOJVEMHTBSAOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24657864)
ChEBI Ontology
Outgoing Relation(s)
Octyl 2-methylbutyrate (CHEBI:89870) is a carboxylic ester (CHEBI:33308)
Synonyms  Source
Butanoic acid, 2-methyl-, octyl esterHMDB
Butyric acid, 2-methyl-, octyl esterHMDB
FEMA 3604HMDB
N-Octyl 2-methylbutanoateHMDB
N-Octyl 2-methyl butyrateHMDB
octyl 2-methylbutanoateHMDB
Manual XrefsDatabases
C00030881KNApSAcK
HMDB0036219HMDB
Registry NumbersSources
CAS:29811-50-5KEGG COMPOUND
Citations