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CHEBI:199468 - Cosmomycin C

ChEBI IDCHEBI:199468
ChEBI NameCosmomycin C
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]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)c1cccc(O)c1C3=O
InChIInChI=1S/C60H88N2O21/c1-12-60(71)25-40(79-44-22-33(61(8)9)57(30(6)75-44)82-46-24-38(66)58(31(7)77-46)81-42-20-17-36(64)27(3)73-42)48-51(55(70)49-50(54(48)69)53(68)47-32(52(49)67)14-13-15-37(47)65)59(60)83-45-23-34(62(10)11)56(29(5)76-45)80-43-21-18-39(28(4)74-43)78-41-19-16-35(63)26(2)72-41/h13-15,26-31,33-36,38-46,56-59,63-66,69-71H,12,16-25H2,1-11H3/t26-,27-,28-,29-,30-,31-,33-,34-,35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,56+,57+,58+,59+,60+/m0/s1
InChIKeyJRCMJKKALYUURJ-OVYBONNASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1271/bbb1961.49.1951)
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)
Cosmomycin C (CHEBI:199468) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,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,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
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