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CHEBI:198747 - BE-22179

ChEBI IDCHEBI:198747
ChEBI NameBE-22179
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H48N10O12S4
Net Charge0
Average Mass1061.216
Monoisotopic Mass1060.23360
SMILESC=C1C(=O)SCC(NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N(C)C2CSSCC(C(=O)N1C)N(C)C(=O)CNC(=O)C(NC(=O)c1nc3ccccc3cc1O)CSC(=O)C(=C)N(C)C2=O
InChIInChI=1S/C46H48N10O12S4/c1-23-45(67)69-19-29(51-41(63)37-33(57)15-25-11-7-9-13-27(25)49-37)39(61)47-18-36(60)56(6)32-22-72-71-21-31(43(65)53(23)3)55(5)35(59)17-48-40(62)30(20-70-46(68)24(2)54(4)44(32)66)52-42(64)38-34(58)16-26-12-8-10-14-28(26)50-38/h7-16,29-32,57-58H,1-2,17-22H2,3-6H3,(H,47,61)(H,48,62)(H,51,63)(H,52,64)
InChIKeyQLOZXPNJEDVFIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8150706)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BE-22179 (CHEBI:198747) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-hydroxy-N-[20-[(3-hydroxyquinoline-2-carbonyl)amino]-2,12,15,25-tetramethyl-11,24-dimethylidene-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoline-2-carboxamide
Manual XrefsDatabases
8117101ChemSpider