CHEBI:177852 - fiboflapon

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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 fiboflapon
ChEBI ID CHEBI:177852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H43N3O4S
Net Charge 0
Average Mass 637.840
Monoisotopic Mass 637.29743
InChI InChI=1S/C38H43N3O4S/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43)
InChIKey DFQGDHBGRSTTHX-UHFFFAOYSA-N
SMILES S(C1=C(N(C2=C1C=C(OCC3=NC=C(C=C3)C)C=C2)CC4=CC=C(C=C4)C=5C=CC(OCC)=NC5)CC(C)(C)C(O)=O)C(C)(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing fiboflapon (CHEBI:177852) is a phenylpyridine (CHEBI:38193)
IUPAC Name
3-[3-tert-butylsulanyl-1-[[4-(6-ethoxypyridin-3-yl)phenyl]methyl]-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid
Manual Xrefs Databases
25069707 ChemSpider
D10069 KEGG DRUG
DB06346 KEGG DRUG
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Registry Number Type Source
936350-00-4 CAS Registry Number ChemIDplus