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Substrate Report for: Monobutyl-phthalate
Name
Class
Monobutyl-phthalate
Type
Aryl ester
Phthalate
Other_Name (9)
Chemical_Nomenclature
2-butoxycarbonylbenzoic acid
Formula
C12H14O4
CAS_number
131-70-4
MW
222.24
Paper (5)
Structure
8HGW
Comment
Major metabolite of dibutyl phthalate. Like many phthalates, MBP is a potential endocrine disruptor
Gene_locus
9mico-MpeH
9zzzz-EstJ6
9acto-q2mhh5
CID
8575
Family
Bacterial_esterase
Hormone-sensitive_lipase_like
Carbon-carbon_bond_hydrolase
InChIKey
YZBOVSFWWNVKRJ-UHFFFAOYSA-N
CanonicalSMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=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)
Wikipedia
Monobutyl_phthalate
Send your questions or comments to :
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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