CHEBI:169951 - YM-216391

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ChEBI Name YM-216391 ChEBI ID CHEBI:169951 Definition An azamacrocycle with formula C34H32N8O7S isolated from the cultured mycelium of Streptomyces nobilis. It exhibits potent cytotoxic activity against human cancer cell lines. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C34H32N8O7S Net Charge 0 Average Mass 696.740 Monoisotopic Mass 696.21147 InChI InChI=1S/C34H32N8O7S/c1-5-17(4)25-29(44)40-24(16(2)3)28(43)35-11-23-36-19(12-46-23)31-37-20(13-47-31)32-38-21(14-48-32)34-39-22(15-50-34)33-42-26(30(45)41-25)27(49-33)18-9-7-6-8-10-18/h6-10,12-17,24-25H,5,11H2,1-4H3,(H,35,43)(H,40,44)(H,41,45)/t17-,24+,25-/m1/s1 InChIKey TXKVZUHICTYULO-HCOMASKESA-N SMILES CC[C@@H](C)[C@H]1NC(=O)C2=C(OC(=N2)C2=CSC(=N2)C2=COC(=N2)C2=COC(=N2)C2=COC(CNC(=O)[C@@H](NC1=O)C(C)C)=N2)C1=CC=CC=C1 Metabolite of Species Details Streptomyces nobilis (NCBI:txid66901) Found in mycelium (BTO:0001436). of strain JCM 4274 See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing YM-216391 (CHEBI:169951) has role antineoplastic agent (CHEBI:35610) YM-216391 (CHEBI:169951) has role bacterial metabolite (CHEBI:76969) YM-216391 (CHEBI:169951) is a 1,3-oxazoles (CHEBI:46812) YM-216391 (CHEBI:169951) is a 1,3-thiazoles (CHEBI:38418) YM-216391 (CHEBI:169951) is a azamacrocycle (CHEBI:52898) YM-216391 (CHEBI:169951) is a benzenes (CHEBI:22712) YM-216391 (CHEBI:169951) is a heterodetic cyclic peptide (CHEBI:24533) IUPAC Name (20R,23S)-20-[(2R)-butan-2-yl]-16-phenyl-23-(propan-2-yl)-3,7,15,28-tetraoxa-11-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione Synonyms Sources YM 216391 ChEBI YM216391 ChEBI Citations Types Sources 15685342 PubMed citation Europe PMC 15813177 PubMed citation Europe PMC 15813178 PubMed citation Europe PMC 18480915 PubMed citation Europe PMC 22248379 PubMed citation Europe PMC 28088540 PubMed citation Europe PMC 30310179 PubMed citation Europe PMC 30516779 PubMed citation Europe PMC Last Modified 15 April 2021