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CHEBI:6619 - MK 571

ChEBI IDCHEBI:6619
ChEBI NameMK 571
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H27ClN2O3S2
Net Charge0
Average Mass515.100
Monoisotopic Mass514.11516
SMILESCN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C26H27ClN2O3S2/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)/b10-6+
InChIKeyAXUZQJFHDNNPFG-UXBLZVDNSA-N
ChEBI Ontology
Outgoing Relation(s)
MK 571 (CHEBI:6619) is a quinolines (CHEBI:26513)
Incoming Relation(s)
verlukast (CHEBI:746984) is a MK 571 (CHEBI:6619)
IUPAC Name 
3-[({3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}{[3-(dimethylamino)-3-oxopropyl]sulfanyl}methyl)sulfanyl]propanoic acid
Synonyms  Source
MK-571ChEBI
MK571ChEBI
L 660711ChEBI
L660711ChEBI
L-660711ChEBI
3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl][3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acidChEBI
Manual XrefsDatabases
C11239KEGG COMPOUND
Registry NumbersSources
CAS:115104-28-4KEGG COMPOUND