Monobutyl-phthalate
Major metabolite of dibutyl phthalate. Like many phthalates, MBP is a potential endocrine disruptor
General
Type : Aryl 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 || Monobutylphthalate || 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
Wikipedia : Monobutyl_phthalate
Target
Structures : 8HGW
Families : Bacterial_esterase, Hormone-sensitive_lipase_like, Carbon-carbon_bond_hydrolase
References (6)
| Title : Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase - Chen_2023_Commun.Chem_6_45 |
| Author(s) : Chen Y , Wang Y , Xu Y , Sun J , Yang L , Feng C , Wang J , Zhou Y , Zhang ZM |
| Ref : Commun Chem , 6 :45 , 2023 |
| Abstract : |
| PubMedSearch : Chen_2023_Commun.Chem_6_45 |
| PubMedID: 36859434 |
| Gene_locus related to this paper: 9acto-q2mhh5 |
| Title : Characterization of XtjR8: A novel esterase with phthalate-hydrolyzing activity from a metagenomic library of lotus pond sludge - Qiu_2020_Int.J.Biol.Macromol_164_1510 |
| Author(s) : Qiu J , Yang H , Yan Z , Shi Y , Zou D , Ding L , Shao Y , Li L , Khan U , Sun S , Xin Z |
| Ref : Int J Biol Macromol , 164 :1510 , 2020 |
| Abstract : |
| PubMedSearch : Qiu_2020_Int.J.Biol.Macromol_164_1510 |
| PubMedID: 32755708 |
| Gene_locus related to this paper: 9zzzz-XtjR8 |
| Title : Identification and characterization of a novel phthalate-degrading hydrolase from a soil metagenomic library - Qiu_2020_Ecotoxicol.Environ.Saf_190_110148 |
| Author(s) : Qiu J , Zhang Y , Shi Y , Jiang J , Wu S , Li L , Shao Y , Xin Z |
| Ref : Ecotoxicology & Environmental Safety , 190 :110148 , 2020 |
| Abstract : |
| PubMedSearch : Qiu_2020_Ecotoxicol.Environ.Saf_190_110148 |
| PubMedID: 31911388 |
| Gene_locus related to this paper: 9zzzz-EstJ6 |
| Title : Degradation of dibutyl phthalate (DBP) by a bacterial consortium and characterization of two novel esterases capable of hydrolyzing PAEs sequentially - Lu_2020_Ecotoxicol.Environ.Saf_195_110517 |
| Author(s) : Lu M , Jiang W , Gao Q , Zhang M , Hong Q |
| Ref : Ecotoxicology & Environmental Safety , 195 :110517 , 2020 |
| Abstract : |
| PubMedSearch : Lu_2020_Ecotoxicol.Environ.Saf_195_110517 |
| PubMedID: 32220793 |
| Gene_locus related to this paper: 9mico-DpeH , 9mico-MpeH |
| Title : Excellent Degradation Performance of a Versatile Phthalic Acid Esters-Degrading Bacterium and Catalytic Mechanism of Monoalkyl Phthalate Hydrolase - Fan_2018_Int.J.Mol.Sci_19_ |
| Author(s) : Fan S , Wang J , Yan Y , Jia Y |
| Ref : Int J Mol Sci , 19 : , 2018 |
| Abstract : |
| PubMedSearch : Fan_2018_Int.J.Mol.Sci_19_ |
| PubMedID: 30231475 |
| Gene_locus related to this paper: 9acto-q2mhh5 |
| Title : [Metabolism of dibutyl and diethyl phthalates in the rat] - |
| Author(s) : Chambon P , Riotte M , Daudon M , Chambon-Mougenot R , Bringuier J |
| Ref : C R Acad Hebd Seances Acad Sci D , 273 :2165 , 1971 |
| PubMedID: 5003086 |