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Substance Name: Urdamycin E
RN: 104542-47-4
InChIKey: WDNBUGBJVRAIKE-JGRVRNPESA-N

Note

  • Angucycline antibiotic isolated from Streptomyces fradiae strain Tu 2717.

Molecular Formula

  • C44-H58-O17-S

Molecular Weight

  • 890.991
 
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Names and Synonyms

Name of Substance

  • Urdamycin E

Synonym

  • Urdamycin-E

Systematic Name

  • Benz(a)anthracene-1,7,12(2H)-trione,9-(2,6-dideoxy-3-O-((2S-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-5-(methylthio)-12b-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (3R-(3alpha,4aalpha,12balpha(2S*,5S*,6S*)))-

Registry Numbers

CAS Registry Number

  • 104542-47-4

System Generated Number

  • 0104542474

Structure Descriptors

InChI

1S/C44H58O17S/c1-18-25(45)9-11-33(56-18)61-44-30(47)16-42(5,53)17-43(44,54)31(62-6)13-24-36(44)41(52)23-8-7-22(39(50)35(23)40(24)51)28-15-29(38(49)21(4)55-28)60-32-12-10-27(19(2)57-32)59-34-14-26(46)37(48)20(3)58-34/h7-8,13,18-21,25-29,32-34,37-38,45-46,48-50,53-54H,9-12,14-17H2,1-6H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,32-,33-,34-,37+,38+,42-,43+,44-/m0/s1

InChIKey

WDNBUGBJVRAIKE-JGRVRNPESA-N

Smiles

O[C@]12C[C@](CC([C@]2(O[C@H]2CC[C@@H]([C@@H](O2)C)O)C=2C(c3c(c(c(cc3)[C@H]3C[C@H]([C@H](O)[C@H](C)O3)O[C@@H]3O[C@H]([C@H](CC3)O[C@@H]3O[C@@H]([C@H]([C@@H](C3)O)O)C)C)O)C(C2C=C1SC)=O)=O)=O)(O)C