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3-Chloro-2-methylmaleylacetate

PropertiesImage
MNX_IDMNXM6788 Image of MNXM6788
referencechebi:81661
formulaC7H7ClO5
global charge0
mol weight206.581
InChIKeyYXWGPDFKFBYCFE-ZZXKWVIFSA-N
InChIInChI=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+
SMILESC/C(C(=O)O)=C(\Cl)C(=O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C7H7ClO5/c1-3(7(12)13)6(8)4(9)2-5(10)11/h2H2,1H3,(H,10,11)(H,12,13)/b6-3+ Image of MNXM6788
SMILES (mnx)[CH3:1]/[C:3](=[C:6](/[C:4]([CH2:2][C:5](=[O:10])[OH:11])=[O:9])[Cl:8])[C:7](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...8a7364289061
envipathM:...8a7364289061
CHEBI:81661
chebi:81661
kegg.compound:C18310
keggC:C18310
YXWGPDFKFBYCFE-ZZXKWVIFSA-L
YXWGPDFKFBYCFE-ZZXKWVIFSA-N 		3-Chloro-2-methylmaleylacetate
hmdb:HMDB0060369
YXWGPDFKFBYCFE-ZZXKWVIFSA-N 		3-Chloro-2-methylmaleylacetate
(2E)-3-Chloro-2-methyl-4-oxohex-2-enedioate
(2E)-3-chloro-2-methyl-4-oxohex-2-enedioic acid
3-Chloro-2-methylmaleylacetic acid

seed.compound:cpd19576
seedM:cpd19576
YXWGPDFKFBYCFE-ZZXKWVIFSA-L 		3-Chloro-2-methylmaleylacetate
3-chloro-2-methyl-maleylacetate

metacyc.compound:CPD-10845
metacycM:CPD-10845
YXWGPDFKFBYCFE-ZZXKWVIFSA-L 		3-chloro-2-methyl-maleylacetate

hmdb:HMDB60369
keggC:M_C18310
seedM:M_cpd19576 		secondary/obsolete/fantasy identifier