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Substance Name: Guanidylfungin A
RN: 94116-22-0
InChIKey: XORCVXSQCSUFAJ-SMBLPHJASA-N

Note

  • From Streptomyces hygroscopicus No. 662.

Molecular Formula

  • C58-H103-N3-O18

Molecular Weight

  • 1130.45
 
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Names and Synonyms

Name of Substance

  • Guanidylfungin A

Systematic Name

  • Guanidylfungin A

Registry Numbers

CAS Registry Number

  • 94116-22-0

System Generated Number

  • 0094116220

Structure Descriptors

InChI

1S/C58H103N3O18/c1-32(16-13-11-12-14-23-61-57(59)60-10)24-37(6)54-36(5)18-15-17-35(4)53(73)39(8)46(66)27-42(63)25-41(62)26-43-28-48(68)55(74)58(76,79-43)31-49(69)34(3)19-21-44(64)38(7)47(67)29-45(65)33(2)20-22-50(40(9)56(75)78-54)77-52(72)30-51(70)71/h16-17,20,22,33-34,36-50,53-55,62-69,73-74,76H,11-15,18-19,21,23-31H2,1-10H3,(H,70,71)(H3,59,60,61)/b22-20+,32-16+,35-17+

InChIKey

XORCVXSQCSUFAJ-SMBLPHJASA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12500ug/kg (12.5mg/kg)   Journal of Antibiotics. Vol. 37, Pg. 1161, 1984.