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CHEBI:224509 - Epelmycin D

ChEBI IDCHEBI:224509
ChEBI NameEpelmycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO11
Net Charge0
Average Mass585.606
Monoisotopic Mass585.22101
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]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16+,17+,23-,24+,30-/m0/s1
InChIKeyCVACSAHKWDLUII-BXTJAPIWSA-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)
Epelmycin D (CHEBI:224509) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2S,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443212ChemSpider