CHEBI:194548 - 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

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ChEBI Name 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol ChEBI ID CHEBI:194548 Definition A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H13NO3 Net Charge 0 Average Mass 183.207 Monoisotopic Mass 183.08954 InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3 InChIKey UCTWMZQNUQWSLP-UHFFFAOYSA-N SMILES CNCC(O)C1=CC(O)=C(O)C=C1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): molecular messenger (via monoamine molecular messenger ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol (CHEBI:194548) is a catecholamine (CHEBI:33567) Incoming (R)-adrenaline (CHEBI:28918) is a 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol (CHEBI:194548) (S)-adrenaline (CHEBI:40751) is a 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol (CHEBI:194548) IUPAC Name 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol Last Modified 05 April 2023

General Comment 2023-04-05 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemic mixture (adrenaline) and its individual enantiomers (R)- and (S)-adrenaline.