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Substance Name: Pradimicin S
RN: 146446-02-8
InChIKey: RTZKJDOHYVQXGI-UHFFFAOYSA-N

Note

  • Isolated from Actinomadura spinosa; the 3'-O-(3''-O-sulfo-beta-D-glucopyranosyl) analog of pradimicin A.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H46-N2-O22-S

Molecular Weight

  • 950.872
 
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Names and Synonyms

Name of Substance

  • Pradimicin S

Synonym

  • Pradimicin S

Systematic Names

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-(3-O-sulfo-beta-D-glucopyranosyl)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-(3-O-sulfo-beta-D-glucopyranosyl)-beta-D-glactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 146446-02-8

System Generated Number

  • 0146446028

Structure Descriptors

InChI

1S/C41H46N2O22S/c1-11-6-18-24(31(50)21(11)38(54)43-12(2)39(55)56)23-16(9-17-25(32(23)51)28(47)15-7-14(60-5)8-19(45)22(15)27(17)46)29(48)35(18)63-40-33(52)36(26(42-4)13(3)61-40)64-41-34(53)37(65-66(57,58)59)30(49)20(10-44)62-41/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-53H,10H2,1-5H3,(H,43,54)(H,55,56)(H,57,58,59)

InChIKey

RTZKJDOHYVQXGI-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H]([C@@H]([C@@H]1CO)O)OS(O)(=O)=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)c3cc4C(c5c(cc(OC)cc5O)C(c4c(O)c3c3c(c(c(cc23)C)C(N[C@@H](C(O)=O)C)=O)O)=O)=O)O[C@@H](C)[C@@H]1NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 150mg/kg (150mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 580, 1993.