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CHEBI:223181 - Sulfurmycin E

ChEBI IDCHEBI:223181
ChEBI NameSulfurmycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H55NO16
Net Charge0
Average Mass841.904
Monoisotopic Mass841.35208
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]5CC[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31+,32-,36+,40-,41+,43-/m0/s1
InChIKeyONRDFNTYASFICP-SNSWQSRASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7186414)
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)
Sulfurmycin E (CHEBI:223181) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1S,2R,4S)-4-[(2S,4S,5R,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443065ChemSpider