CHEBI:81660 - 3-Chloro-2-methyldienelactone

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ChEBI Name 3-Chloro-2-methyldienelactone
ChEBI ID CHEBI:81660
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C7H5ClO4
Net Charge 0
Average Mass 188.56500
Monoisotopic Mass 187.98764
InChI InChI=1S/C7H5ClO4/c1-3-6(8)4(2-5(9)10)12-7(3)11/h2H,1H3,(H,9,10)/b4-2-
InChIKey OYEYSZZDZDSDCR-RQOWECAXSA-N
SMILES CC1=C(Cl)/C(OC1=O)=C/C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-Chloro-2-methyldienelactone (CHEBI:81660) is a halo fatty acid (CHEBI:60692)
Manual Xref Database
C18309 KEGG COMPOUND
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