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Substance Name: Izumenolide
RN: 76265-39-9
InChIKey: ZIKVIJYTFFPQEA-JPKODDBNSA-N

Note

  • From Micromonospora chalcea.

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • beta-Lactamase Inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Natural Product

Molecular Formula

  • C40-H74-O14-S3

Molecular Weight

  • 875.209
 
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Names and Synonyms

Name of Substance

  • Izumenolide

Synonyms

  • EM-4615-A
  • Izumenolide

Systematic Name

  • Oxacyclotriacont-3-en-2-one, 16,18-bis(sulfooxy)-30-(2-(sulfooxy)-9-undecenyl)-

Registry Numbers

CAS Registry Number

  • 76265-39-9

Other Registry Number

  • 76298-70-9

System Generated Number

  • 0076265399

Structure Descriptors

InChI

1S/C40H74O14S3/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b3-2+,33-28+

InChIKey

ZIKVIJYTFFPQEA-JPKODDBNSA-N

Smiles

C([C@@H]1CCCCCCCCCCC[C@@H](C[C@@H](OS(=O)(=O)O)CCCCCCCCCCCC=CC(O1)=O)OS(=O)(=O)O)[C@@H](OS(O)(=O)=O)CCCCCC\C=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2mg/kg (2mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 1262, 1980.