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Substrate Report for: Monobutyl-phthalate

Major metabolite of dibutyl phthalate. Like many phthalates, MBP is a potential endocrine disruptor


General
Type Aromatic ester, Phthalate
Chemical_Nomenclature 2-butoxycarbonylbenzoic acid
Canonical SMILES 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)
InChIKey YZBOVSFWWNVKRJ-UHFFFAOYSA-N
Other name(s) Monobutyl phthalate ; 2-(Butoxycarbonyl)benzoic acid ; Mono-n-butyl phthalate ; Butyl hydrogen phthalate ; CHEBI:88522 ; MBP ; SCHEMBL151027 ; ZINC1586773 ; CHEMBL2447930
________________________________________________________________________________________________
MW|222.24
Formula|C12H14O4
CAS_number|131-70-4
PubChem|8575
UniChem|YZBOVSFWWNVKRJ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|Monobutyl_phthalate

Target
Families | Monobutyl-phthalate ligand of proteins in family: Bacterial_esterase, Hormone-sensitive_lipase_like, Carbon-carbon_bond_hydrolase
Protein | 9mico-MpeH, 9zzzz-EstJ6, 9acto-q2mhh5

References:
Search PubMed for references concerning: Monobutyl-phthalate

1 more
    Title: Degradation of dibutyl phthalate (DBP) by a bacterial consortium and characterization of two novel esterases capable of hydrolyzing PAEs sequentially
    Lu M, Jiang W, Gao Q, Zhang M, Hong Q
    Ref: Ecotoxicology & Environmental Safety, 195:110517, 2020 : PubMed

            

    Title: Identification and characterization of a novel phthalate-degrading hydrolase from a soil metagenomic library
    Qiu J, Zhang Y, Shi Y, Jiang J, Wu S, Li L, Shao Y, Xin Z
    Ref: Ecotoxicology & Environmental Safety, 190:110148, 2020 : PubMed

            

    Title: [Metabolism of dibutyl and diethyl phthalates in the rat]
    Chambon P, Riotte M, Daudon M, Chambon-Mougenot R, Bringuier J
    Ref: C R Acad Hebd Seances Acad Sci D, 273:2165, 1971 : PubMed