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Substance Name: Conotoxin MI
RN: 83481-45-2
InChIKey: YXBQTKPMFURSAT-AZDLGQIMSA-N

Note

  • 14-residue peptide toxin from marine snail Conus magus.

Molecular Formula

  • C58-H92-N22-O17-S4

Molecular Weight

  • 1496.78
 
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Names and Synonyms

Name of Substance

  • Conotoxin MI

Synonym

  • Conotoxin M I

Systematic Names

  • Conotoxin G I, 1-glycine-1a-endo-L-arginine-4-L-histidine-9-L-lysine-10-L-asparagine-
  • Conotoxin M I (reduced)

Registry Numbers

CAS Registry Number

  • 83481-45-2

System Generated Number

  • 0083481452

Structure Descriptors

InChI

1S/C59H93N21O17S4/c1-29(70-57(96)43-8-5-15-80(43)58(97)38(18-32-21-66-28-69-32)75-56(95)42(27-101)79-50(89)31(24-98)17-44(83)34(71-46(85)20-61)7-4-14-67-59(64)65)49(88)78-41(26-100)51(90)68-22-47(86)72-35(6-2-3-13-60)52(91)74-37(19-45(62)84)54(93)73-36(16-30-9-11-33(82)12-10-30)53(92)76-39(23-81)55(94)77-40(25-99)48(63)87/h9-12,21,28-29,31,34-43,81-82,98-101H,2-8,13-20,22-27,60-61H2,1H3,(H2,62,84)(H2,63,87)(H,66,69)(H,68,90)(H,70,96)(H,71,85)(H,72,86)(H,73,93)(H,74,91)(H,75,95)(H,76,92)(H,77,94)(H,78,88)(H,79,89)(H4,64,65,67)/t29-,31?,34-,35-,36-,37-,38?,39-,40-,41-,42-,43-/m0/s1

InChIKey

YXBQTKPMFURSAT-AZDLGQIMSA-N

Smiles

C1N([C@@H](CC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N)CS)CO)=O)Cc1ccc(cc1)O)=O)CC(N)=O)=O)CCCCN)CS)C)C([C@@H](NC([C@@H](NC(=O)[C@@H](CC([C@@H](NC(CN)=O)CCCNC(N)=N)=O)CS)CS)=O)Cc1[nH]cnc1)=O