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CHEBI:134199 - (S)-tembetarine

ChEBI IDCHEBI:134199
ChEBI Name(S)-tembetarine
Stars
ASCII Name(S)-tembetarine
DefinitionA tembetarine obtained by methylation of the tertiary amino function of (R)-reticuline.
Last Modified31 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O
InChIInChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1/t16-/m0/s1
InChIKeyABSDACFLIMOXJY-INIZCTEOSA-O
Species of MetaboliteComponentSourceComments
Polyalthia nemoralis (IPNI:74668-1)
leaf (BTO:0000713) PubMed (21809577)
branch (BTO:0000148) PubMed (21809577)
Xylopia parviflora (ncbitaxon:992813)
bark (BTO:0001301) PubMed (15081299)
root (BTO:0001188) PubMed (15081299)
Magnolia officinalis (ncbitaxon:85864) bark (BTO:0001301) PubMed (23823874)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
(S)-tembetarine (CHEBI:134199) has functional parent (S)-reticuline (CHEBI:16718)
(S)-tembetarine (CHEBI:134199) has role plant metabolite (CHEBI:76924)
(S)-tembetarine (CHEBI:134199) is a benzylisoquinoline alkaloid (CHEBI:22750)
(S)-tembetarine (CHEBI:134199) is a tembetarine (CHEBI:136682)
(S)-tembetarine (CHEBI:134199) is enantiomer of (R)-tembetarine (CHEBI:134198)
Incoming Relation(s)
(R)-tembetarine (CHEBI:134198) is enantiomer of (S)-tembetarine (CHEBI:134199)
Synonyms  Source
(+)-TembetarineKNApSAcK
TembetarineKNApSAcK
(S)-(+)-tembetarineChEBI
UniProt Name  Source
(S)-tembetarineUniProt
Manual XrefsDatabases
C00025347KNApSAcK
Registry NumbersSources
Reaxys:5135743Reaxys
CAS:18446-73-6ChemIDplus
Citations