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CHEBI:224994 - Betaclamycin N

ChEBI IDCHEBI:224994
ChEBI NameBetaclamycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO15
Net Charge0
Average Mass787.856
Monoisotopic Mass787.34152
SMILESCC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@@H](O)[C@@H](O[C@H]4CC[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C40H53NO15/c1-7-40(50)15-24(29-32(39(40)49)36(48)30-31(35(29)47)34(46)28-19(33(30)45)9-8-10-22(28)43)54-26-13-20(41(5)6)37(17(3)52-26)56-27-14-23(44)38(18(4)53-27)55-25-12-11-21(42)16(2)51-25/h8-10,16-18,20-21,23-27,37-39,42-44,47-50H,7,11-15H2,1-6H3/t16-,17+,18-,20+,21+,23-,24+,25+,26-,27-,37-,38+,39-,40-/m1/s1
InChIKeyORPATGRWFRNUDF-GHRXIRQLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6480506)
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)
Betaclamycin N (CHEBI:224994) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2R,4R,5R,6R)-4-hydroxy-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443276ChemSpider