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Substrate Report for: Methyl-vanillate

General
Type Hydroxycinnamic-ester, Benzoate
Chemical_Nomenclature methyl 4-hydroxy-3-methoxybenzoate
Canonical SMILES COC1=C(C=CC(=C1)C(=O)OC)O
InChI InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
InChIKey BVWTXUYLKBHMOX-UHFFFAOYSA-N
Other name(s) Methyl vanillate ; Methyl 4-hydroxy-3-methoxybenzoate ; Methyl 3-methoxy-4-hydroxybenzoate ; Vanillic acid, methyl ester ; 4-Hydroxy-3-methoxybenzoic acid methyl ester
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MW|182.17
Formula|C9H10O4
CAS_number|3943-74-6
PubChem|19844
UniChem|BVWTXUYLKBHMOX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Methyl-vanillate ligand of proteins in family: A85-Feruloyl-Esterase
Stucture | 1 structure: 1WB6: S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with vanillate
Protein | clotm-xyny

References:
Search PubMed for references concerning: Methyl-vanillate
    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