CHEBI:156428 - curacozole

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ChEBI Name curacozole ChEBI ID CHEBI:156428 Definition An azamacrocycle obtained from a core peptide of sequence Phe-Ile-Ile-Gly-Ser-Thr-Cys-Cys encoded in the genome of several Streptomyces species. It exhibits potent cytotoxic activity against HCT116 and HOS cancer cells. Stars This entity has been manually annotated by the ChEBI Team. Submitter Martin Larralde 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 C36H36N8O6S2 Net Charge 0 Average Mass 740.850 Monoisotopic Mass 740.21992 InChI InChI=1S/C36H36N8O6S2/c1-6-17(3)25-30(45)37-13-24-38-21(14-48-24)33-43-27(19(5)49-33)36-40-23(16-52-36)35-39-22(15-51-35)34-44-28(29(50-34)20-11-9-8-10-12-20)32(47)42-26(18(4)7-2)31(46)41-25/h8-12,14-18,25-26H,6-7,13H2,1-5H3,(H,37,45)(H,41,46)(H,42,47) InChIKey GARMIUZCKGLXIH-UHFFFAOYSA-N SMILES CCC(C)C1NC(=O)C(NC(=O)C2=C(OC(=N2)C2=CSC(=N2)C2=CSC(=N2)C2=C(C)OC(=N2)C2=COC(CNC1=O)=N2)C1=CC=CC=C1)C(C)CC Metabolite of Species Details Streptomyces curacoi (NCBI:txid146536) Genbank: WP_107116988.1 of strain NBRC 12761 See: PubMed Streptomyces viridochromogenes (NCBI:txid1938) Genbank: WP_003997107.1 See: PubMed Streptomyces aurantiacus (NCBI:txid47760) Genbank: WP_016640788.1 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 curacozole (CHEBI:156428) has role antineoplastic agent (CHEBI:35610) curacozole (CHEBI:156428) has role bacterial metabolite (CHEBI:76969) curacozole (CHEBI:156428) is a 1,3-oxazoles (CHEBI:46812) curacozole (CHEBI:156428) is a 1,3-thiazoles (CHEBI:38418) curacozole (CHEBI:156428) is a azamacrocycle (CHEBI:52898) curacozole (CHEBI:156428) is a benzenes (CHEBI:22712) curacozole (CHEBI:156428) is a heterodetic cyclic peptide (CHEBI:24533) IUPAC Name 20,23-di(butan-2-yl)-4-methyl-16-phenyl-3,15,28-trioxa-7,11-dithia-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 Citation Type Source 30310179 PubMed citation SUBMITTER Last Modified 15 April 2021