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CHEBI:224469 - Obelmycin D

ChEBI IDCHEBI:224469
ChEBI NameObelmycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H88N2O23
Net Charge0
Average Mass1205.355
Monoisotopic Mass1204.57779
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@H]1C[C@@H](N(C)C)[C@@H](O[C@H]2C[C@@H](O)[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/C60H88N2O23/c1-12-60(73)23-38(80-41-19-30(61(8)9)55(26(4)76-41)83-43-21-36(67)57(28(6)78-43)81-39-17-15-32(63)24(2)74-39)47-50(54(72)49-48(53(47)71)51(69)45-34(65)13-14-35(66)46(45)52(49)70)59(60)85-42-20-31(62(10)11)56(27(5)77-42)84-44-22-37(68)58(29(7)79-44)82-40-18-16-33(64)25(3)75-40/h13-14,24-33,36-44,55-59,63-68,71-73H,12,15-23H2,1-11H3/t24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,36-,37+,38-,39-,40-,41-,42-,43+,44-,55-,56-,57+,58-,59-,60+/m0/s1
InChIKeyNWSULKNDMBRCNS-NSBUQMFKSA-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 D (CHEBI:224469) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10S)-7-[(2R,4R,5R,6R)-4-(dimethylamino)-5-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[(2S,4R,5R,6S)-4-(dimethylamino)-5-[(2S,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-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
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