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CHEBI:75388 - (S)-blebbistatin

ChEBI IDCHEBI:75388
ChEBI Name(S)-blebbistatin
Stars
ASCII Name(S)-blebbistatin
DefinitionThe (S)-enantiomer of blebbistatin.
Last Modified6 February 2018
Submitternamrata
DownloadsMolfile
FormulaC18H16N2O2
Net Charge0
Average Mass292.338
Monoisotopic Mass292.12118
SMILESCc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2
InChIInChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
InChIKeyLZAXPYOBKSJSEX-GOSISDBHSA-N
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
(S)-blebbistatin (CHEBI:75388) is a blebbistatin (CHEBI:75379)
(S)-blebbistatin (CHEBI:75388) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
(3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
Synonym  Source
(S)-(−)-blebbistatinChEBI
Manual XrefsDatabases
DB01944DrugBank
Registry NumbersSources
Reaxys:10018194Reaxys
Citations