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Substrate Report for: Methyl-sinapate

Substrate of TypeA TypeC TypeD Feruloyl esterases


General
Type Hydroxycinnamic-ester, Acrylate
Chemical_Nomenclature methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC
InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKey JHLPYWLKSLVYOI-SNAWJCMRSA-N
Other name(s) MSA ; Methyl sinapate ; Methylsinapate ; Methyl sinapinate ; Methylsinapinate ; Methyl-sinapinate ; Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate ; Antithiamine factor ; AC1NT0EV ; Bmse000589
________________________________________________________________________________________________
MW|238.23
Formula|C12H14O5
CAS_number|20733-94-2
PubChem|5321318
UniChem|JHLPYWLKSLVYOI-SNAWJCMRSA-N
IUPHAR|
Wikipedia|

Target
Families | Methyl-sinapate ligand of proteins in family: A85-Feruloyl-Esterase, FaeC
Stucture | 1 structure: 1WB4: S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with sinapinate
Protein | clotm-xyny, asptn-q0ci40

References:
Search PubMed for references concerning: Methyl-sinapate
    Title: Characterization of a feruloyl esterase from Aspergillus terreus facilitates the division of fungal enzymes from Carbohydrate Esterase family 1 of the carbohydrate-active enzymes (CAZy) database
    Makela MR, Dilokpimol A, Koskela SM, Kuuskeri J, de Vries RP, Hilden K
    Ref: Microb Biotechnol, 11:869, 2018 : PubMed

            

    Title: Molecular determinants of substrate specificity in the feruloyl esterase module of xylanase 10B from Clostridium thermocellum
    Tarbouriech N, Prates JA, Fontes CM, Davies GJ
    Ref: Acta Crystallographica D Biol Crystallogr, 61:194, 2005 : PubMed