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CHEBI:224474 - Obelmycin C

ChEBI IDCHEBI:224474
ChEBI NameObelmycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H88N2O22
Net Charge0
Average Mass1189.356
Monoisotopic Mass1188.58287
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]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/C60H88N2O22/c1-12-60(72)24-39(80-43-21-31(61(8)9)57(29(6)76-43)83-45-23-37(67)58(30(7)78-45)82-41-19-16-34(64)26(3)74-41)48-51(55(71)50-49(54(48)70)52(68)46-35(65)13-14-36(66)47(46)53(50)69)59(60)84-44-22-32(62(10)11)56(28(5)77-44)81-42-20-17-38(27(4)75-42)79-40-18-15-33(63)25(2)73-40/h13-14,25-34,37-45,56-59,63-67,70-72H,12,15-24H2,1-11H3/t25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,37-,38+,39+,40+,41+,42+,43-,44+,45+,56-,57+,58+,59-,60-/m1/s1
InChIKeyGTVYNXUSLXVORL-PFKASXCOSA-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 C (CHEBI:224474) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5R,6R)-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,4S,5S,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
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