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

ChEBI IDCHEBI:194548
ChEBI Name4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Stars
DefinitionA catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen.
Last Modified5 April 2023
SubmitterAdnan
DownloadsMolfile
FormulaC9H13NO3
Net Charge0
Average Mass183.207
Monoisotopic Mass183.08954
SMILESCNCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
InChIKeyUCTWMZQNUQWSLP-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol (CHEBI:194548) is a catecholamine (CHEBI:33567)
Incoming Relation(s)
(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