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Substance Name: Pradimicin FA 1
RN: 131426-58-9
InChIKey: IABQXKYWFNKIFA-HBFDRNORSA-N

Note

  • Isolated from Actinomadura hibisca.

Molecular Formula

  • C40-H44-N2-O19

Molecular Weight

  • 856.783
 
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Names and Synonyms

Name of Substance

  • Pradimicin FA 1

Synonym

  • Pradimicin FA-1

Systematic Name

  • D-Serine, 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-tet

Registry Numbers

CAS Registry Number

  • 131426-58-9

System Generated Number

  • 0131426589

Structure Descriptors

InChI

1S/C40H44N2O19/c1-11-5-17-24(31(50)21(11)37(54)42-18(9-43)38(55)56)23-15(8-16-25(32(23)51)28(47)14-6-13(57-4)7-19(44)22(14)27(16)46)29(48)35(17)60-40-36(33(52)26(41-3)12(2)59-40)61-39-34(53)30(49)20(45)10-58-39/h5-8,12,18,20,26,29-30,33-36,39-41,43-45,48-53H,9-10H2,1-4H3,(H,42,54)(H,55,56)/t12-,18+,20-,26+,29+,30+,33+,34-,35+,36-,39+,40+/m1/s1

InChIKey

IABQXKYWFNKIFA-HBFDRNORSA-N

Smiles

O([C@H]1[C@@H]([C@@H](O)[C@H](O)CO1)O)[C@H]1[C@@H](O[C@@H]([C@@H](NC)[C@@H]1O)C)O[C@@H]1[C@H](c2cc3c(C(c4cc(OC)cc(c4C3=O)O)=O)c(c2c2c1cc(c(c2O)C(N[C@H](C(=O)O)CO)=O)C)O)O