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CHEBI:223352 - Auramycin A

ChEBI IDCHEBI:223352
ChEBI NameAuramycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H51NO15
Net Charge0
Average Mass797.851
Monoisotopic Mass797.32587
SMILESCOC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N(C)C)[C@@H](O[C@H]4C[C@@H](O)[C@@H](O[C@H]5CCC(=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C41H51NO15/c1-17-24(43)11-12-28(52-17)56-39-19(3)54-30(15-26(39)45)57-38-18(2)53-29(14-23(38)42(5)6)55-27-16-41(4,50)34(40(49)51-7)21-13-22-33(37(48)32(21)27)36(47)31-20(35(22)46)9-8-10-25(31)44/h8-10,13,17-19,23,26-30,34,38-39,44-45,48,50H,11-12,14-16H2,1-7H3/t17-,18+,19+,23+,26+,27-,28-,29-,30-,34-,38-,39-,41+/m0/s1
InChIKeyUFVSOHSXEJJBKL-NODMTQFTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6951825)
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)
Auramycin A (CHEBI:223352) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2R,4S)-4-[(2R,4R,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5R,6R)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443081ChemSpider