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Substrate Report for: Monobutyl-phthalate

Name Class
Monobutyl-phthalateTypeAryl ester
Phthalate
Other_Name (9)
Chemical_Nomenclature2-butoxycarbonylbenzoic acid
FormulaC12H14O4
CAS_number131-70-4
MW222.24
Paper (5)
Structure8HGW
CommentMajor metabolite of dibutyl phthalate. Like many phthalates, MBP is a potential endocrine disruptor
Gene_locus9mico-MpeH
9zzzz-EstJ6
9acto-q2mhh5
CID8575
FamilyBacterial_esterase
Hormone-sensitive_lipase_like
Carbon-carbon_bond_hydrolase
InChIKeyYZBOVSFWWNVKRJ-UHFFFAOYSA-N
CanonicalSMILESCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChIInChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
WikipediaMonobutyl_phthalate

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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