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CHEBI:88159 - 3-hydroxy-O,5-dimethyl-L-tyrosine

Default Structure
ChEBI IDCHEBI:88159
ChEBI Name3-hydroxy-O,5-dimethyl-L-tyrosine
Stars
ASCII Name3-hydroxy-O,5-dimethyl-L-tyrosine
DefinitionAn L-tyrosine derivative that is O-methyl-L-tyrosine carrying additional hydroxy and methyl substituents at positions 3 and 5 respectively.
Last Modified8 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H15NO4
Net Charge0
Average Mass225.244
Monoisotopic Mass225.10011
SMILESCOc1c(C)cc(C[C@H](N)C(=O)O)cc1O
InChIInChI=1S/C11H15NO4/c1-6-3-7(4-8(12)11(14)15)5-9(13)10(6)16-2/h3,5,8,13H,4,12H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyWCPBEUSWIVLNSK-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces lavendulae (ncbitaxon:1914) - PubMed (22187429) Strain: NRRL 11002
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-O,5-dimethyl-L-tyrosine (CHEBI:88159) has role bacterial metabolite (CHEBI:76969)
3-hydroxy-O,5-dimethyl-L-tyrosine (CHEBI:88159) is a L-tyrosine derivative (CHEBI:27177)
3-hydroxy-O,5-dimethyl-L-tyrosine (CHEBI:88159) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
3-hydroxy-O,5-dimethyl-L-tyrosine (CHEBI:88159) is tautomer of 3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion (CHEBI:87846)
Incoming Relation(s)
3-hydroxy-O,5-dimethyl-L-tyrosine zwitterion (CHEBI:87846) is tautomer of 3-hydroxy-O,5-dimethyl-L-tyrosine (CHEBI:88159)
IUPAC Name 
3-hydroxy-O,5-dimethyl-L-tyrosine
Synonyms  Source
3-hydroxy-4-methoxy-5-methylphenylalanineChEBI
3-hydroxy-4-methoxy-5-methyl-L-phenylalanineChEBI
3-hydroxy-5-methyl-O-methyltyrosineMetaCyc
3-hydroxy-O,5-dimethyltyrosineChEBI
Manual XrefsDatabases
CPD-18029MetaCyc
Registry NumbersSources
Reaxys:9706701Reaxys
Citations