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Substance Name: Aureobasidin E
RN: 127785-66-4
InChIKey: CCOLHNQBJDUNIC-IJYBSRRDSA-N

Note

  • From Aureobasidium pullulans R106.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C60-H92-N8-O12

Molecular Weight

  • 1117.43
 
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Names and Synonyms

Name of Substance

  • Aureobasidin E

Systematic Names

  • Aureobasidin A, 3-(erythro-beta-hydroxy-N-methyl-L-phenylalanine)- (9CI)
  • Aureobasidin E

Registry Numbers

CAS Registry Number

  • 127785-66-4

System Generated Number

  • 0127785664

Structure Descriptors

InChI

1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,41+,42+,43+,44+,45+,46+,47?,48+,49-,50-/m1/s1

InChIKey

CCOLHNQBJDUNIC-IJYBSRRDSA-N

Smiles

O=C1N[C@H](C(N(C)[C@@H](C(N[C@@H](CC(C)C)C(N([C@@H](C(C)(C)O)C(O[C@H]([C@@H](CC)C)C(=O)N([C@@H](C(C)C)C(N[C@@H](Cc2ccccc2)C(N([C@@H]([C@H](c2ccccc2)O)C(N2[C@H]1CCC2)=O)C)=O)=O)C)=O)C)=O)=O)C(C)C)=O)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 919, 1991.