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CHEBI:188157 - (S)-timolol(1+)

ChEBI IDCHEBI:188157
ChEBI Name(S)-timolol(1+)
Stars
ASCII Name(S)-timolol(1+)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC13H25N4O3S
Net Charge+1
Average Mass317.435
Monoisotopic Mass317.16419
SMILESCC(C)(C)[NH2+]C[C@H](O)COc1nsnc1N1CCOCC1
InChIInChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/p+1/t10-/m0/s1
InChIKeyBLJRIMJGRPQVNF-JTQLQIEISA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-timolol(1+) (CHEBI:188157) is a ammonium ion derivative (CHEBI:35274)
(S)-timolol(1+) (CHEBI:188157) is conjugate acid of (S)-timolol (anhydrous) (CHEBI:9599)
Incoming Relation(s)
(S)-timolol (anhydrous) (CHEBI:9599) is conjugate base of (S)-timolol(1+) (CHEBI:188157)
UniProt Name  Source
(S)-timololUniProt
Manual XrefsDatabases
TIMPDBeChem