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CHEBI:177451 - Fasiglifam

ChEBI IDCHEBI:177451
ChEBI NameFasiglifam
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O7S
Net Charge0
Average Mass524.635
Monoisotopic Mass524.18687
SMILESCc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1
InChIInChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
InChIKeyBZCALJIHZVNMGJ-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Fasiglifam (CHEBI:177451) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzouran-3-yl]acetic acid
Manual XrefsDatabases
DB12491DrugBank
2YBPDBeChem
26323628ChemSpider
D10336KEGG DRUG
LSM-45725LINCS
Registry NumbersSources
CAS:1000413-72-8ChemIDplus