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CHEBI:113 - (S)-salsolinol

ChEBI IDCHEBI:113
ChEBI Name(S)-salsolinol
Stars
ASCII Name(S)-salsolinol
DefinitionA 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration.
Last Modified12 January 2023
DownloadsMolfile
FormulaC10H13NO2
Net Charge0
Average Mass179.219
Monoisotopic Mass179.09463
SMILESC[C@@H]1NCCc2cc(O)c(O)cc21
InChIInChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1
InChIKeyIBRKLUSXDYATLG-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Urine (NCIT:C13283) PubMed (8651468)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
(S)-salsolinol (CHEBI:113) has role human urinary metabolite (CHEBI:84087)
(S)-salsolinol (CHEBI:113) is a 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CHEBI:194221)
(S)-salsolinol (CHEBI:113) is enantiomer of (R)-salsolinol (CHEBI:88801)
Incoming Relation(s)
(S)-N-Methylsalsolinol (CHEBI:88540) has functional parent (S)-salsolinol (CHEBI:113)
salsolinol (CHEBI:194220) has part (S)-salsolinol (CHEBI:113)
(R)-salsolinol (CHEBI:88801) is enantiomer of (S)-salsolinol (CHEBI:113)
IUPAC Name 
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Synonyms  Source
(−)-salsolinolKNApSAcK
(S)-1,2,3,4-tetrahydro-1-methyl-6,7-isoquinolinediolKEGG COMPOUND
(−)-(S)-salsolinolChEBI
(S)-(−)-salsolinolChEBI
(S)-SALChEBI
(S)-1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolineChEBI
Manual XrefsDatabases
C09642KEGG COMPOUND
C00001915KNApSAcK
CPD-20748MetaCyc
Registry NumbersSources
CAS:27740-96-1ChemIDplus
Citations