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Substance Name: Amaninamide, S-deoxo-abu(1)-ile(3)-
RN: 129274-06-2
InChIKey: OMOWRDIQAIEEMH-HFIVCSRHSA-N

Note

  • Amatoxin analog containing L-alpha-aminobutyric acid instead of L-agrinine in position 1.

Molecular Formula

  • C39-H55-N9-O9-S

Molecular Weight

  • 825.9835
 
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Names and Synonyms

Name of Substance

  • Amaninamide, S-deoxo-abu(1)-ile(3)-

Synonyms

  • 1-(L-2-Aminobutanoic acid)-3-L-isoleucine-4-(2-mercapto-L-tryptophan)-alpha-amanitin de-S-oxide
  • 1-S-Deoxo-abu-3-ile-amaninamide
  • Amaninamide, S-deoxo-alpha-aminobutyryl acid(1)-isoleucine(3)-

Systematic Name

  • alpha-Amanitin, 1-(L-2-aminobutanoic acid)-3-L-isoleucine-4-(2-mercapto-L-tryptophan)-, de-S-oxide

Registry Numbers

CAS Registry Number

  • 129274-06-2

System Generated Number

  • 0129274062

Structure Descriptors

InChI

1S/C39H55N9O9S/c1-6-19(4)31-36(55)41-15-29(50)42-27-18-58-38-23(22-11-9-10-12-25(22)45-38)14-26(33(52)40-16-30(51)46-31)44-37(56)32(20(5)7-2)47-35(54)28-13-21(49)17-48(28)39(57)24(8-3)43-34(27)53/h9-12,19-21,24,26-28,31-32,45,49H,6-8,13-18H2,1-5H3,(H,40,52)(H,41,55)(H,42,50)(H,43,53)(H,44,56)(H,46,51)(H,47,54)/t19-,20-,21+,24-,26?,27-,28-,31-,32-/m0/s1

InChIKey

OMOWRDIQAIEEMH-HFIVCSRHSA-N

Smiles

CC[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@H](C(=O)NC3Cc4c5ccccc5[nH]c4SC[C@@H](C(=O)N1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC3=O)[C@@H](C)CC)[C@@H](C)CC)O