EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177460 - salirasib

ChEBI IDCHEBI:177460
ChEBI Namesalirasib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O2S
Net Charge0
Average Mass358.547
Monoisotopic Mass358.19665
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O
InChIInChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
InChIKeyWUILNKCFCLNXOK-CFBAGHHKSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
salirasib (CHEBI:177460) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulanylbenzoic acid
Manual XrefsDatabases
D08995KEGG DRUG
DB12681DrugBank
4579849ChemSpider
LSM-45698LINCS
Registry NumbersSources
CAS:162520-00-5ChemIDplus