EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:234612 - MK-571

ChEBI IDCHEBI:234612
ChEBI NameMK-571
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC26H26ClN2O3S2.Na
Net Charge0
Average Mass537.082
Monoisotopic Mass536.09711
SMILES[H]/C(=C(/[H])c1ccc2ccc(Cl)cc2n1)c1cccc(C(SCCC(=O)[O-])SCCC(=O)N(C)C)c1.[Na+]
InChIInChI=1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;
InChIKeyXNAYQOBPAXEYLI-AAGWESIMSA-M
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
MK-571 (CHEBI:234612) has role inhibitor (CHEBI:35222)
MK-571 (CHEBI:234612) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
sodium;3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate
Registry NumbersSources
CAS:115103-85-0SUBMITTER