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Substance Name: Sulfurmycin E
RN: 83753-76-8
InChIKey: ONRDFNTYASFICP-VIKSYLFQSA-N

Note

  • From Streptomyces galilaeus.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H55-N-O16

Molecular Weight

  • 841.898
 
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Names and Synonyms

Name of Substance

  • Sulfurmycin E

Synonym

  • Sulfurmycin E

Systematic Names

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2alpha,5alpha,6beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyrano syl)oxy)-, methyl ester, (1R-(1alpha,2beta,4beta))-
  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-4-(2,6-dideoxy-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-

Registry Numbers

CAS Registry Number

  • 83753-76-8

System Generated Number

  • 0083753768

Structure Descriptors

InChI

1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31-,32-,36-,40+,41+,43+/m0/s1

InChIKey

ONRDFNTYASFICP-VIKSYLFQSA-N

Smiles

N([C@H]1C[C@H](O[C@@H]2c3c(c4c(C(c5cccc(c5C4=O)O)=O)cc3[C@@H](C(=O)OC)[C@@](CC(C)=O)(C2)O)O)O[C@H](C)[C@H]1O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1CC[C@H]([C@@H](O1)C)O)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #82-96000,