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Substance Name: Octacosamicin A
RN: 122005-25-8
InChIKey: JHJDTYDBQYAKEF-NMPSDRPFSA-N

Note

  • From Amycolatopsis.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H52-N4-O9

Molecular Weight

  • 624.771
 
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Names and Synonyms

Name of Substance

  • Octacosamicin A

Synonyms

  • Antibiotic MG 398HF9A
  • Octacosamicin A

Systematic Name

  • Glycine, N-(28-((aminoiminomethyl)hydroxyamino)-2,3,5,7-tetrahydroxy-1,19-dioxo-12,14,20,22-octacosatetraenyl)-

Registry Numbers

CAS Registry Number

  • 122005-25-8

System Generated Number

  • 0122005258

Structure Descriptors

InChI

1S/C31H52N4O9/c32-31(33)35(44)20-16-12-8-4-7-10-14-18-24(36)17-13-9-5-2-1-3-6-11-15-19-25(37)21-26(38)22-27(39)29(42)30(43)34-23-28(40)41/h1-3,5,7,10,14,18,25-27,29,37-39,42,44H,4,6,8-9,11-13,15-17,19-23H2,(H3,32,33)(H,34,43)(H,40,41)/b3-1+,5-2+,10-7+,18-14+

InChIKey

JHJDTYDBQYAKEF-NMPSDRPFSA-N

Smiles

C(CNC([C@@H]([C@@H](C[C@@H](C[C@@H](CCCC\C=C\C=C\CCCC(\C=C\C=C\CCCCCN(O)C(=N)N)=O)O)O)O)O)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 140mg/kg (140mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1525, 1988.