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CHEBI:224479 - Obelmycin B

ChEBI IDCHEBI:224479
ChEBI NameObelmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H88N2O21
Net Charge0
Average Mass1173.357
Monoisotopic Mass1172.58796
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]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@H]1C[C@@H](N(C)C)[C@@H](O[C@H]2CC[C@H](O[C@H]4CC[C@H](O)[C@@H](C)O4)[C@@H](C)O2)[C@@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C60H88N2O21/c1-12-60(71)25-40(80-45-23-32(61(8)9)57(30(6)76-45)81-43-21-17-38(28(4)74-43)78-41-19-15-34(63)26(2)72-41)49-52(56(70)51-50(55(49)69)53(67)47-36(65)13-14-37(66)48(47)54(51)68)59(60)83-46-24-33(62(10)11)58(31(7)77-46)82-44-22-18-39(29(5)75-44)79-42-20-16-35(64)27(3)73-42/h13-14,26-35,38-46,57-59,63-66,69-71H,12,15-25H2,1-11H3/t26-,27-,28+,29-,30-,31-,32+,33-,34+,35+,38+,39+,40+,41+,42+,43+,44+,45+,46+,57-,58+,59+,60-/m1/s1
InChIKeyQGMYQBMNNRNDNB-LOZFVSBLSA-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)
Obelmycin B (CHEBI:224479) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10S)-7-[(2R,4S,5S,6R)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[(2S,4R,5R,6R)-4-(dimethylamino)-5-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78443210ChemSpider