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CHEBI:20092 - 3-isopropylbut-3-enoic acid

ChEBI IDCHEBI:20092
ChEBI Name3-isopropylbut-3-enoic acid
Stars
Secondary ChEBI IDCHEBI:29482
Last Modified27 January 2016
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESC=C(CC(=O)O)C(C)C
InChIInChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyWAQITWDITIAIFA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
3-isopropylbut-3-enoic acid (CHEBI:20092) has functional parent but-3-enoic acid (CHEBI:35897)
3-isopropylbut-3-enoic acid (CHEBI:20092) is a branched-chain fatty acid (CHEBI:35819)
Synonyms  Source
3-isopropylbut-3-enoic acidChEBI
3-Isopropylbut-3-enoic acidKEGG COMPOUND
Manual XrefsDatabases
c0684UM-BBD
C11950KEGG COMPOUND
Registry NumbersSources
CAS:65860-53-9KEGG COMPOUND