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Substance Name: Pradimicin D
RN: 130743-10-1
InChIKey: XTZUCVXVWVTYDG-UHFFFAOYSA-N

Note

  • From Actinomadura hibisca.

Molecular Formula

  • C39-H42-N2-O18

Molecular Weight

  • 826.7568
 
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Names and Synonyms

Name of Substance

  • Pradimicin D

Synonym

  • N-((-5-O-(4,6-Dideoxy-4-(methylamino)-3-O-(beta-D-xylopyranosyl)-beta-D-galactopyranosyl)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)glycine

Systematic Name

  • Glycine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-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)-

Registry Numbers

CAS Registry Number

  • 130743-10-1

System Generated Number

  • 0130743101

Structure Descriptors

InChI

1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)

InChIKey

XTZUCVXVWVTYDG-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)C(C2OC6C(C(C(C(O6)C)NC)OC7C(C(C(CO7)O)O)O)O)O