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Substance Name: Mycobacillin
RN: 18524-67-9
UNII: XY4W543XGK
InChIKey: MGMBOQJARKXIAL-NBWPGZKJSA-N

Note

  • A cyclic polypeptide antibiotic isolated from culture filtrates of Bacillus subtilis that acts as an antifungal agent.

Molecular Formula

  • C65-H85-N13-O30

Molecular Weight

  • 1528.4475
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antifungal Agents
  • Drug / Therapeutic Agent
  • Natural Product
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Names and Synonyms

Name of Substance

  • Mycobacillin

MeSH Heading

  • Mycobacillin

Synonym

  • UNII-XY4W543XGK

Systematic Name

  • Mycobacillin

Registry Numbers

CAS Registry Number

  • 18524-67-9

FDA UNII

  • XY4W543XGK

Other Registry Numbers

  • 23714-41-2
  • 33187-08-5

System Generated Number

  • 0018524679

Structure Descriptors

InChI

1S/C65H85N13O30/c1-28(2)19-36-55(96)69-34(64(105)106)15-17-47(83)68-39(22-48(84)85)54(95)66-29(3)53(94)76-43(26-52(92)93)63(104)78-18-4-5-45(78)62(103)75-42(25-51(90)91)58(99)70-35(65(107)108)14-16-46(82)67-37(20-30-6-10-32(80)11-7-30)56(97)73-40(23-49(86)87)60(101)72-38(21-31-8-12-33(81)13-9-31)57(98)77-44(27-79)61(102)74-41(24-50(88)89)59(100)71-36/h6-13,28-29,34-45,79-81H,4-5,14-27H2,1-3H3,(H,66,95)(H,67,82)(H,68,83)(H,69,96)(H,70,99)(H,71,100)(H,72,101)(H,73,97)(H,74,102)(H,75,103)(H,76,94)(H,77,98)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,105,106)(H,107,108)/t29-,34+,35-,36-,37-,38-,39+,40-,41+,42+,43+,44-,45-/m0/s1

InChIKey

MGMBOQJARKXIAL-NBWPGZKJSA-N

Smiles

C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](C(=O)N1)CC(=O)O)C(=O)O)CC(C)C)CC(=O)O)CO)Cc3ccc(cc3)O)CC(=O)O)Cc4ccc(cc4)O)C(=O)O)CC(=O)O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 20mg/kg (20mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 301, 1980.