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Substance Name: Amaninamide
RN: 58311-65-2
UNII: A0W351848Z
InChIKey: BOHCOUQZNDPURZ-MIBTZWEZSA-N

Note

  • Toxin from Amanita virosa mushrooms.

Molecular Formula

  • C39-H54-N10-O13-S

Molecular Weight

  • 902.9786
 
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Names and Synonyms

Name of Substance

  • Amaninamide

Synonym

  • UNII-A0W351848Z

Systematic Name

  • alpha-Amanitin, 4-(2-mercapto-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 58311-65-2

FDA UNII

  • A0W351848Z

System Generated Number

  • 0058311652

Structure Descriptors

InChI

1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17-,18-,19+,23-,24-,25-,26-,27-,31-,32-,63?/m0/s1

InChIKey

BOHCOUQZNDPURZ-MIBTZWEZSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[S+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2