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Substance Name: Siomycin
RN: 11017-43-9
InChIKey: AKFVOKPQHFBYCA-DFRWSGLISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C64-H88-N16-O22-S4

Molecular Weight

  • 1648.8659
 
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Names and Synonyms

Name of Substance

  • Siomycin

Synonyms

  • A-59-A
  • Mutabillicin
  • Sporangiomycin

Systematic Name

  • Siomycin

Registry Numbers

CAS Registry Number

  • 11017-43-9

System Generated Number

  • 0011017439

Structure Descriptors

InChI

1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31-,32+,33+,34+,38+,44+,46-,47-,48-,50-,51?,52+,70+,71-/m0/s1

InChIKey

AKFVOKPQHFBYCA-DFRWSGLISA-N

Smiles

C\C=C\1/NC(=O)[C@@H](NC(=O)c2csc(n2)[C@]34CCC(=NC3c5csc(n5)[C@@H](NC(=O)c6csc(n6)[C@@H](NC(=O)[C@H]7CSC1=N7)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)c8cc([C@H](C)O)c9C=C[C@@H](N[C@@H](C(C)C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N4)[C@H](O)c9n8)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 398, 1980.
mouse LD50 intravenous 100mg/kg (100mg/kg)   Journal of Antibiotics, Series A. Vol. 14, Pg. 255, 1961.