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Substance Name: Malolactomycin A
RN: 135667-47-9
InChIKey: HCSHWQXRBDBMGW-QUGCTZCUSA-N

Note

  • A 40-membered ring macrolide antibiotic; shows preventive effect to fungal infection of plants.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C63-H111-N3-O20

Molecular Weight

  • 1230.57
 
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Names and Synonyms

Name of Substance

  • Malolactomycin A

Synonym

  • Malolactomycin A

Systematic Names

  • Antibiotic RK 634 (9CI)
  • Propanedioic acid, mono(17-(9-((bis(methylamino)methylene)amino)-1,3-dimethyl-3-nonenyl)-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo(35.3.1)hentetraconta-12,14,22-trien-3-yl) ester

Registry Numbers

CAS Registry Number

  • 135667-47-9

System Generated Number

  • 0135667479

Structure Descriptors

InChI

1S/C63H111N3O20/c1-35(18-14-12-13-17-25-66-62(64-10)65-11)26-39(5)59-38(4)19-15-16-20-48(69)40(6)51(72)29-45(68)27-44(67)28-46(84-57(79)33-56(77)78)30-47-31-54(75)60(81)63(83,86-47)34-55(76)36(2)21-23-49(70)41(7)52(73)32-53(74)42(8)50(71)24-22-37(3)58(80)43(9)61(82)85-59/h15-16,18-20,22,36,38-55,58-60,67-76,80-81,83H,12-14,17,21,23-34H2,1-11H3,(H,77,78)(H2,64,65,66)/b19-15-,20-16-,35-18+,37-22-

InChIKey

HCSHWQXRBDBMGW-QUGCTZCUSA-N

Smiles

C(CC(=O)O)(=O)O[C@@H]1C[C@@H]2C[C@@H]([C@@H]([C@@](C[C@@H]([C@@H](CC[C@@H]([C@@H]([C@@H](C[C@@H]([C@@H]([C@@H](CC=C([C@@H]([C@@H](C(O[C@@H]([C@@H](C=CC=C[C@@H]([C@@H]([C@@H](C[C@@H](C[C@@H](C1)O)O)O)C)O)C)[C@@H](C\C(=C\CCCCC\N=C(\NC)NC)C)C)=O)C)O)C)O)C)O)O)C)O)C)O)(O2)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6700ug/kg (6.7mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 1912, 1993.