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CHEBI:219727 - Kedarcidin

ChEBI IDCHEBI:219727
ChEBI NameKedarcidin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H60ClN3O16
Net Charge0
Average Mass1030.521
Monoisotopic Mass1029.36621
SMILESCOc1c(OC(C)C)cc2cc(O)c(C(=O)NC3Cc4ccc(c(Cl)n4)OC4C=C5C#C/C(=C\C#CC6OC56C4OC4CC(C)(O)C(O)C(C)O4)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OC
InChIInChI=1S/C53H60ClN3O16/c1-25(2)67-38-18-29-17-35(58)33(21-32(29)45(64-8)46(38)65-9)50(61)56-34-20-31-15-16-37(49(54)55-31)70-39-19-30-14-13-28(40(24-66-51(34)62)71-42-22-36(59)44(57(6)7)26(3)68-42)11-10-12-41-53(30,73-41)48(39)72-43-23-52(5,63)47(60)27(4)69-43/h11,15-19,21,25-27,34,36,39-44,47-48,58-60,63H,20,22-24H2,1-9H3,(H,56,61)/b28-11+
InChIKeyGFTRTMUGNRZABD-IPBVOBEMSA-N
Species of MetaboliteComponentSourceComments
Streptoalloteichusspecies ATCC 53650 (ncbitaxon:756733) - DOI (10.1021/ja00046a071)
ChEBI Ontology
Outgoing Relation(s)
Kedarcidin (CHEBI:219727) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-[(15E)-6-chloro-24-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-10-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide
Manual XrefsDatabases
4978668ChemSpider