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CHEBI:74049 - 5-methoxytryptophan

Default Structure
ChEBI IDCHEBI:74049
ChEBI Name5-methoxytryptophan
Stars
DefinitionAn L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5.
Last Modified4 May 2020
Submittermwilliams
DownloadsMolfile
FormulaC12H14N2O3
Net Charge0
Average Mass234.255
Monoisotopic Mass234.10044
SMILESCOc1ccc2ncc(C[C@H](N)C(=O)O)c2c1
InChIInChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyKVNPSKDDJARYKK-JTQLQIEISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-methoxytryptophan (CHEBI:74049) has functional parent L-tryptophan (CHEBI:16828)
5-methoxytryptophan (CHEBI:74049) has role metabolite (CHEBI:25212)
5-methoxytryptophan (CHEBI:74049) is a L-tryptophan derivative (CHEBI:47994)
5-methoxytryptophan (CHEBI:74049) is tautomer of 5-methoxy-L-tryptophan zwitterion (CHEBI:149637)
Incoming Relation(s)
5-methoxy-L-tryptophan zwitterion (CHEBI:149637) is tautomer of 5-methoxytryptophan (CHEBI:74049)
IUPAC Name 
5-methoxy-L-tryptophan
Manual XrefsDatabases
HMDB0002339HMDB
US3915795Patent
Registry NumbersSources
CAS:2504-22-5ChemIDplus
Citations