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CHEBI:224484 - Obelmycin A

ChEBI IDCHEBI:224484
ChEBI NameObelmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO11
Net Charge0
Average Mass559.568
Monoisotopic Mass559.20536
SMILESCC[C@]1(O)C[C@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C28H33NO11/c1-5-28(38)9-14(40-15-8-11(29(3)4)22(32)10(2)39-15)18-21(27(28)37)26(36)20-19(25(18)35)23(33)16-12(30)6-7-13(31)17(16)24(20)34/h6-7,10-11,14-15,22,27,30-32,35-38H,5,8-9H2,1-4H3/t10-,11-,14+,15+,22+,27-,28+/m1/s1
InChIKeyUULLJCRFYRZYCE-YDCBLXQGSA-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)
Obelmycin A (CHEBI:224484) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S,10R)-7-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443211ChemSpider