CHEBI:108133 - 3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid

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ChEBI Name 3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid
ChEBI ID CHEBI:108133
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H17NO7S
Net Charge 0
Average Mass 331.343
Monoisotopic Mass 331.07257
InChI InChI=1S/C13H17NO7S/c1-20-10-7-9(3-4-12(16)17)8-11(13(10)21-2)22(18,19)14-5-6-15/h3-4,7-8,14-15H,5-6H2,1-2H3,(H,16,17)
InChIKey UYHIQEDZRDRQEH-UHFFFAOYSA-N
SMILES COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)NCCO)OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethoxyphenyl]-2-propenoic acid (CHEBI:108133) is a hydroxycinnamic acid (CHEBI:24689)
Manual Xref Database
LSM-19510 LINCS
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