blebbistatin (CHEBI:75379)

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ChEBI Name	blebbistatin

ChEBI ID	CHEBI:75379

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H16N2O2

Net Charge

Average Mass

292.33180

Monoisotopic Mass

292.12118

InChI

InChI=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

InChIKey

LZAXPYOBKSJSEX-UHFFFAOYSA-N

SMILES

Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1

Roles Classification
Biological Role(s):	inhibitor A substance that diminishes the rate of a chemical reaction.

ChEBI Ontology
Outgoing	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 α-hydroxy ketone (CHEBI:139592) blebbistatin (CHEBI:75379) is a tertiary alcohol (CHEBI:26878)

Incoming	(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
(+/−)-blebbistatin	ChEBI

Last Modified

07 February 2018