CHEBI:81661 - 3-Chloro-2-methylmaleylacetate

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ChEBI Name 3-Chloro-2-methylmaleylacetate
ChEBI ID CHEBI:81661
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C7H7ClO5
Net Charge 0
Average Mass 206.58000
Monoisotopic Mass 205.99820
InChI InChI=1S/C7H7ClO5/c1-3(7(12)13)6(8)4(9)2-5(10)11/h2H2,1H3,(H,10,11)(H,12,13)/b6-3+
InChIKey YXWGPDFKFBYCFE-ZZXKWVIFSA-N
SMILES C\C(C(O)=O)=C(/Cl)C(=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Chloro-2-methylmaleylacetate (CHEBI:81661) is a halo fatty acid (CHEBI:60692)
Manual Xrefs Databases
C18310 KEGG COMPOUND
HMDB0060369 HMDB
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