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CHEBI:215179 - N-Acetyldaunomycin

ChEBI IDCHEBI:215179
ChEBI NameN-Acetyldaunomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H31NO11
Net Charge0
Average Mass569.563
Monoisotopic Mass569.18971
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(NC(C)=O)C(O)C(C)O1
InChIInChI=1S/C29H31NO11/c1-11-24(33)16(30-13(3)32)8-19(40-11)41-18-10-29(38,12(2)31)9-15-21(18)28(37)23-22(26(15)35)25(34)14-6-5-7-17(39-4)20(14)27(23)36/h5-7,11,16,18-19,24,33,35,37-38H,8-10H2,1-4H3,(H,30,32)/t11?,16?,18-,19?,24?,29-/m0/s1
InChIKeyUCEMIGLIQIYVAH-JEEWRSNPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (561047)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-Acetyldaunomycin (CHEBI:215179) is a anthracycline (CHEBI:48120)
IUPAC Name 
N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]acetamide
Manual XrefsDatabases
23142141ChemSpider