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CHEBI:200838 - Pentanedioic acid 2-(1-methylethylidene)-1-methyl ester

ChEBI IDCHEBI:200838
ChEBI NamePentanedioic acid 2-(1-methylethylidene)-1-methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O4
Net Charge0
Average Mass186.207
Monoisotopic Mass186.08921
SMILESCOC(=O)C(CCC(=O)O)=C(C)C
InChIInChI=1S/C9H14O4/c1-6(2)7(9(12)13-3)4-5-8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKeyAJDHMUGYYXWKAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (12444684)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pentanedioic acid 2-(1-methylethylidene)-1-methyl ester (CHEBI:200838) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-methoxycarbonyl-5-methylhex-4-enoic acid
Manual XrefsDatabases
9107384ChemSpider