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Substance Name: Plipastatin
RN: 103651-09-8
InChIKey: CUOJDWBMJMRDHN-UHFFFAOYSA-N

Note

  • Cyclic acylated decapeptide; phospholipase A2 inhibitors from Bacillus cereus.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C72-H110-N12-O20

Molecular Weight

  • 1463.72
 
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Names and Synonyms

Name of Substance

  • Plipastatin

Systematic Name

  • Plipastatin A1

Registry Numbers

CAS Registry Number

  • 103651-09-8

System Generated Number

  • 0103651098

Structure Descriptors

InChI

1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)

InChIKey

CUOJDWBMJMRDHN-UHFFFAOYSA-N

Smiles

c1c(O)ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3N(C([C@@H](C)NC(=O)[C@@H](NC([C@@H]([C@@H](C)O)NC([C@@H](NC([C@@H](CCCN)NC(=O)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCCC)CCC(O)=O)=O)Cc4ccc(OC(=O)[C@@H](NC2=O)[C@@H](CC)C)cc4)=O)=O)CCC(=O)O)=O)CCC3)CCC(=O)N)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 737, 1986.
mouse LD50 intravenous 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 737, 1986.