CHEBI:188685 - Zanoterone

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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 Zanoterone
ChEBI ID CHEBI:188685
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H32N2O3S
Net Charge 0
Average Mass 416.580
Monoisotopic Mass 416.21336
InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1
InChIKey MHDDZDPNIDVLNK-ZGIWMXSJSA-N
SMILES S(=O)(=O)(N1N=C2C[C@]3([C@@]([C@@]4([C@]([C@]5([C@](CC4)([C@@](O)(CC5)C#C)C)[H])(CC3)[H])[H])(CC2=C1)C)[H])C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing Zanoterone (CHEBI:188685) has parent hydride estrane (CHEBI:23966)
Zanoterone (CHEBI:188685) is a steroid (CHEBI:35341)
IUPAC Name
(1S,2S,10S,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-6-methylsulonyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
Manual Xrefs Databases
8020541 ChemSpider
D06357 KEGG DRUG
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Registry Number Type Source
107000-34-0 CAS Registry Number ChemIDplus