CHEBI:177451 - Fasiglifam

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fasiglifam
ChEBI ID CHEBI:177451
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O7S
Net Charge 0
Average Mass 524.630
Monoisotopic Mass 524.18687
InChI InChI=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
InChIKey BZCALJIHZVNMGJ-HSZRJFAPSA-N
SMILES S(=O)(=O)(CCCOC1=CC(=C(C=2C=C(COC3=CC=4OC[C@H](C4C=C3)CC(O)=O)C=CC2)C(=C1)C)C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
26323628 ChemSpider
2YB PDBeChem
D10336 KEGG DRUG
DB12491 KEGG DRUG
LSM-45725 LINCS
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Registry Number Type Source
1000413-72-8 CAS Registry Number ChemIDplus