CHEBI:219727 - Kedarcidin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kedarcidin
ChEBI ID CHEBI:219727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H60ClN3O16
Net Charge 0
Average Mass 1030.520
Monoisotopic Mass 1029.36621
InChI InChI=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+
InChIKey GFTRTMUGNRZABD-IPBVOBEMSA-N
SMILES ClC1=NC2=CC=C1OC3C=C4C#CC(=CC#CC5C4(C3OC6OC(C(O)C(C6)(O)C)C)O5)C(COC(C(C2)NC(=O)C=7C(O)=CC8=CC(OC(C)C)=C(C(=C8C7)OC)OC)=O)OC9OC(C(N(C)C)C(C9)O)C
Metabolite of Species Details
Streptoalloteichusspecies ATCC 53650 (NCBI:txid756733) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
4978668 ChemSpider
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