4,4-Dimethyl-pentenoic acid methyl ester (CHEBI:203719)

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CHEBI:203719 - 4,4-Dimethyl-pentenoic acid methyl ester

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ChEBI ID	CHEBI:203719
ChEBI Name	4,4-Dimethyl-pentenoic acid methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H14O2
Net Charge	0
Average Mass	142.198
Monoisotopic Mass	142.09938
SMILES	COC(=O)/C=C/C(C)(C)C
InChI	InChI=1S/C8H14O2/c1-8(2,3)6-5-7(9)10-4/h5-6H,1-4H3/b6-5+
InChIKey	QXLWRINPDMKVHW-AATRIKPKSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus candidus (ncbitaxon:41067)	-	DOI (10.1016/s0045-6535(99)00015-6)

ChEBI Ontology

Outgoing Relation(s)
	4,4-Dimethyl-pentenoic acid methyl ester (CHEBI:203719) is a fatty acid ester (CHEBI:35748)

IUPAC Name
methyl (E)-4,4-dimethylpent-2-enoate

Manual Xrefs	Databases
4519289	ChemSpider