CHEBI:132470 - SW-163E

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ChEBI Name SW-163E ChEBI ID CHEBI:132470 Definition A heterodetic cyclic peptide that is biosynthesised by an engineered strain of Escherichia coli Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday 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 C54H64N10O14S2 Net Charge 0 Average Mass 1141.279 Monoisotopic Mass 1140.40449 InChI InChI=1S/C54H64N10O14S2/c1-10-79-50-41-49(74)64(9)54(22-27(54)3)52(76)78-24-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)36(25-80-50)48(73)63(8)53(21-26(53)2)51(75)77-23-35(43(68)56-29(5)47(72)62(41)7)60-45(70)40-38(66)20-31-16-12-14-18-33(31)58-40/h11-20,26-29,34-36,41,50,65-66H,10,21-25H2,1-9H3,(H,55,67)(H,56,68)(H,59,69)(H,60,70)/t26-,27-,28-,29-,34+,35+,36-,41+,50+,53-,54-/m0/s1 InChIKey PVGUHCMGVWCBAB-MATBHRBYSA-N SMILES [C@@]12([C@H](C1)C)N(C([C@@]3([C@@H](SC[C@@H](C(N([C@@]4([C@H](C4)C)C(OC[C@H](C(N[C@H](C(N3C)=O)C)=O)NC(C5=C(C=C6C(=N5)C=CC=C6)O)=O)=O)C)=O)N(C([C@@H](NC([C@@H](COC2=O)NC(C7=C(C=C8C(=N7)C=CC=C8)O)=O)=O)C)=O)C)SCC)[H])=O)C Metabolite of Species Details Streptomyces sp. SNA15896 (NCBI:txid497689) See: PubMed Escherichia coli (NCBI:txid562) 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): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing SW-163E (CHEBI:132470) has role Escherichia coli metabolite (CHEBI:76971) SW-163E (CHEBI:132470) is a dithioacetal (CHEBI:59794) SW-163E (CHEBI:132470) is a heterodetic cyclic peptide (CHEBI:24533) SW-163E (CHEBI:132470) is a monohydroxyquinoline (CHEBI:38775) IUPAC Name N,N'-[(1S,1'R,2S,2''S,8'R,11'S,14'R,17'S,21'R,24'S,27'R)-27'-(ethylsulfanyl)-2,2'',3',11',13',16',24',26'-octamethyl-2',5',9',12',15',18',22',25'-octaoxo-6',19'-dioxa-28'-thia-3',10',13',16',23',26'-hexaazadispiro[cyclopropane-1,4'-bicyclo[12.12.3]nonacosane-17',1''-cyclopropane]-8',21'-diyl]bis(3-hydroxyquinoline-2-carboxamide) Manual Xref Database 5257070 ChemSpider View more database links Registry Number Type Source 11250490 Reaxys Registry Number Reaxys Citation Type Source 19514719 PubMed citation SUBMITTER Last Modified 21 November 2016