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CHEBI:177556 - sulukast

ChEBI IDCHEBI:177556
ChEBI Namesulukast
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36N4O3S
Net Charge0
Average Mass472.655
Monoisotopic Mass472.25081
SMILESCCCCCCCCC/C=C\C=C\[C@@H](SCCC(=O)O)[C@@H](O)c1cccc(-c2nnnn2)c1
InChIInChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1
InChIKeyYPHOSUPSOWQQCB-AFOLHBCXSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
sulukast (CHEBI:177556) is a tetrazoles (CHEBI:35689)
IUPAC Name 
3-[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(2H-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulanylpropanoic acid
Manual XrefsDatabases
D02850KEGG DRUG
4940793ChemSpider
Registry NumbersSources
CAS:98116-53-1ChemIDplus