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2-Chloro-5-methylmaleylacetate

PropertiesImage
MNX_IDMNXM6697 Image of MNXM6697
referencechebi:81656
formulaC7H7ClO5
global charge0
mol weight206.581
InChIKeyKECVAQLNZFMLLN-DUXPYHPUSA-N
InChIInChI=1S/C7H7ClO5/c1-3(6(10)11)5(9)2-4(8)7(12)13/h2-3H,1H3,(H,10,11)(H,12,13)/b4-2+
SMILESCC(C(=O)O)C(=O)/C=C(/Cl)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H7ClO5/c1-3(6(10)11)5(9)2-4(8)7(12)13/h2-3H,1H3,(H,10,11)(H,12,13)/b4-2+/t3? Image of MNXM6697
SMILES (mnx)[CH3:1][CH:3]([C:5](/[CH:2]=[C:4](\[C:7](=[O:12])[OH:13])[Cl:8])=[O:9])[C:6](=[O:10])[OH:11]
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:...c8f665223a20
envipathM:...c8f665223a20
CHEBI:81656
chebi:81656
kegg.compound:C18305
keggC:C18305
KECVAQLNZFMLLN-DUXPYHPUSA-L
KECVAQLNZFMLLN-DUXPYHPUSA-N 		2-Chloro-5-methylmaleylacetate
hmdb:HMDB0060346
KECVAQLNZFMLLN-DUXPYHPUSA-N 		2-Chloro-5-methylmaleylacetate
(2E)-2-Chloro-5-methyl-4-oxohex-2-enedioate
(2E)-2-chloro-5-methyl-4-oxohex-2-enedioic acid
2-Chloro-5-methylmaleylacetic acid

seed.compound:cpd19571
seedM:cpd19571
KECVAQLNZFMLLN-DUXPYHPUSA-L 		2-Chloro-5-methylmaleylacetate
2-chloro-5-methyl-maleylacetate

metacyc.compound:CPD-10844
metacycM:CPD-10844
KECVAQLNZFMLLN-DUXPYHPUSA-L 		2-chloro-5-methyl-maleylacetate

hmdb:HMDB60346
keggC:M_C18305
seedM:M_cpd19571 		secondary/obsolete/fantasy identifier