CHEBI:177492 - cositecan

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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 cositecan
ChEBI ID CHEBI:177492
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28N2O4Si
Net Charge 0
Average Mass 448.594
Monoisotopic Mass 448.18183
InChI InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1
InChIKey POADTFBBIXOWFJ-VWLOTQADSA-N
SMILES [Si](CCC1=C2CN3C(C2=NC=4C1=CC=CC4)=CC=5[C@@](O)(CC)C(OCC5C3=O)=O)(C)(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing cositecan (CHEBI:177492) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name
(19S)-19-ethyl-19-hydroxy-10-(2-trimethylsilylethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Manual Xrefs Databases
130651 ChemSpider
D09327 KEGG DRUG
DB05806 KEGG DRUG
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Registry Number Type Source
203923-89-1 CAS Registry Number ChemIDplus