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Substance Name: A-53930A
RN: 182410-79-3
InChIKey: JFQUFGDPMVGHMW-OXNCOZALSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C37-H70-N14-O11

Molecular Weight

  • 887.047
 
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Names and Synonyms

Results Name

  • A-53930A

Synonym

  • A-53930A

Systematic Names

  • 4H-Imidazo(4,5-c)pyridin-4-one, 1,3a,5,6,7,7a-hexahydro-2-((2-((3-amino-6-(((3S)-3-amino-6-(((3S)-3-amino-6-(((3S)-3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-6-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-7-hydroxy-, (3aS,7R,7aS)-
  • 4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-((3-amino-6-((3-amino-6-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-1-oxohexyl)amino)-6-O-(aminocarbonyl)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-, (3aS-(2(R*(R*(R*))),3aalpha,7alpha,7abeta))-

Registry Numbers

CAS Registry Number

  • 182410-79-3

System Generated Number

  • 0182410793

Structure Descriptors

InChI

1S/C37H70N14O11/c38-9-1-5-19(39)13-25(53)44-10-2-6-20(40)14-26(54)45-11-3-7-21(41)15-27(55)46-12-4-8-22(42)16-28(56)48-31-33(58)32(57)24(18-61-36(43)60)62-35(31)51-37-49-29-23(52)17-47-34(59)30(29)50-37/h19-24,29-33,35,52,57-58H,1-18,38-42H2,(H2,43,60)(H,44,53)(H,45,54)(H,46,55)(H,47,59)(H,48,56)(H2,49,50,51)/t19-,20-,21-,22?,23+,24+,29+,30-,31+,32-,33-,35+/m0/s1

InChIKey

JFQUFGDPMVGHMW-OXNCOZALSA-N

Smiles

C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)COC(=O)N)O)O)NC(=O)CC(CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 12500ug/kg (12.5mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 607, 1998.