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CHEBI:128035 - (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid

Default Structure
ChEBI IDCHEBI:128035
ChEBI Name(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
Stars
DownloadsMolfile
FormulaC25H30N2O5S
Net Charge0
Average Mass470.591
Monoisotopic Mass470.18754
SMILESCC(C)(O)C#Cc1cccc(-c2nc(C(=O)O)cc3c2[C@H](CCO)N(S(=O)C(C)(C)C)C3)c1
InChIInChI=1S/C25H30N2O5S/c1-24(2,3)33(32)27-15-18-14-19(23(29)30)26-22(21(18)20(27)10-12-28)17-8-6-7-16(13-17)9-11-25(4,5)31/h6-8,13-14,20,28,31H,10,12,15H2,1-5H3,(H,29,30)/t20-,33?/m0/s1
InChIKeyBBQFZCPIKRFBCR-SQLGYAFXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid (CHEBI:128035) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-39591LINCS