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CHEBI:224449 - Alldimycin A

ChEBI IDCHEBI:224449
ChEBI NameAlldimycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO10
Net Charge0
Average Mass543.569
Monoisotopic Mass543.21045
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c2cc3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C28H33NO10/c1-5-28(37)10-17(39-18-9-14(29(3)4)23(32)11(2)38-18)12-8-13-19(25(34)20(12)27(28)36)26(35)22-16(31)7-6-15(30)21(22)24(13)33/h6-8,11,14,17-18,23,27,30-32,34,36-37H,5,9-10H2,1-4H3/t11-,14+,17+,18+,23+,27-,28-/m1/s1
InChIKeyKPUUTJSVCSKVTL-FSBDOOBYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
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)
Alldimycin A (CHEBI:224449) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2R,4S,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443204ChemSpider