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CHEBI:224525 - Epelmycin A

ChEBI IDCHEBI:224525
ChEBI NameEpelmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H53NO15
Net Charge0
Average Mass811.878
Monoisotopic Mass811.34152
SMILESCC[C@@]1(O)C[C@H](O[C@@H]2C[C@@H](N(C)C)[C@H](O[C@H]3CC[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20-,22+,25-,26-,27-,28-,29+,35+,40+,42+/m0/s1
InChIKeyGSCMQULDSZTLKO-NFDDGJDISA-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 A (CHEBI:224525) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1S,2R,4S)-4-[(2S,4R,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443215ChemSpider