CHEBI:177425 - Patidegib

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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 Patidegib
ChEBI ID CHEBI:177425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H48N2O3S
Net Charge 0
Average Mass 504.770
Monoisotopic Mass 504.33856
InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
InChIKey HZLFFNCLTRVYJG-WWGOJCOQSA-N
SMILES S(=O)(=O)(N[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4(C(C3)=C(C[C@@]5(O[C@]6([C@@](NC[C@H](C6)C)([C@H]5C)[H])[H])CC4)C)[H])(CC2)[H])[H])(CC1)C)[H])C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Patidegib (CHEBI:177425) is a piperidines (CHEBI:26151)
IUPAC Name
N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-uro[3,2-b]pyridine]-3-yl]methanesulonamide
Manual Xrefs Databases
24611265 ChemSpider
D10324 KEGG DRUG
DB12655 KEGG DRUG
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Registry Number Type Source
1037210-93-7 CAS Registry Number ChemIDplus