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CHEBI:179474 - 4,4-dimethyl-2E-pentenoic acid

ChEBI IDCHEBI:179474
ChEBI Name4,4-dimethyl-2E-pentenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCC(C)(C)/C=C/C(=O)O
InChIInChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+
InChIKeyRPVPMVHPERYZNF-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4,4-dimethyl-2E-pentenoic acid (CHEBI:179474) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
(E)-4,4-dimethylpent-2-enoic acid
Manual XrefsDatabases
LMFA01020119LIPID MAPS
4445787ChemSpider
Registry NumbersSources
CAS:6945-35-3ChemIDplus