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CHEBI:75379 - blebbistatin

ChEBI IDCHEBI:75379
ChEBI Nameblebbistatin
Stars
DefinitionA pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.
Last Modified7 February 2018
Submitternamrata
DownloadsMolfile
FormulaC18H16N2O2
Net Charge0
Average Mass292.338
Monoisotopic Mass292.12118
SMILESCc1ccc2c(c1)C(=O)C1(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
InChIKeyLZAXPYOBKSJSEX-UHFFFAOYSA-N
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
blebbistatin (CHEBI:75379) has role inhibitor (CHEBI:35222)
blebbistatin (CHEBI:75379) is a cyclic ketone (CHEBI:3992)
blebbistatin (CHEBI:75379) is a pyrroloquinoline (CHEBI:50918)
blebbistatin (CHEBI:75379) is a tertiary alcohol (CHEBI:26878)
blebbistatin (CHEBI:75379) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
(R)-blebbistatin (CHEBI:75387) is a blebbistatin (CHEBI:75379)
(S)-blebbistatin (CHEBI:75388) is a blebbistatin (CHEBI:75379)
IUPAC Name 
3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
Synonym  Source
(+/−)-blebbistatinChEBI
Manual XrefsDatabases
LSM-6195LINCS
Registry NumbersSources
Reaxys:10016269Reaxys
CAS:674289-55-5ChemIDplus
Citations