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Substance Name: Conotoxin GII
RN: 76862-66-3
InChIKey: GBQKLTZKGNZVHO-PVGVDLJESA-N

Note

  • Highly toxic; from venom of marine snail Conus geographus.

Molecular Formula

  • C57-H81-N19-O16-S4

Molecular Weight

  • 1416.65
 
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Names and Synonyms

Name of Substance

  • Conotoxin GII

Synonyms

  • alpha-Conotoxin G II
  • Conotoxin G II

Systematic Names

  • Conotoxin G I, 4-L-histidine-9-L-lysine-11-L-phenylalanine-
  • L-Cysteinamide, L-alpha-glutamyl-L-cysteinyl-L-cysteinyl-L-histidyl-L-prolyl-L-alanyl-L-cysteinylglycyl-L-lysyl-L-histidyl-L-phenylalanyl-L-seryl-, cyclic (2-7),(3-13)-bis(disulfide)

Registry Numbers

CAS Registry Number

  • 76862-66-3

Other Registry Number

  • 148046-73-5

System Generated Number

  • 0076862663

Structure Descriptors

InChI

1S/C57H81N19O16S4/c1-29-47(82)73-40-24-94-96-25-41(74-48(83)33(59)12-13-45(79)80)55(90)75-42(54(89)70-37(18-32-20-62-28-65-32)57(92)76-15-7-11-43(76)56(91)66-29)26-95-93-23-39(46(60)81)72-53(88)38(22-77)71-51(86)35(16-30-8-3-2-4-9-30)68-52(87)36(17-31-19-61-27-64-31)69-50(85)34(10-5-6-14-58)67-44(78)21-63-49(40)84/h2-4,8-9,19-20,27-29,33-43,77H,5-7,10-18,21-26,58-59H2,1H3,(H2,60,81)(H,61,64)(H,62,65)(H,63,84)(H,66,91)(H,67,78)(H,68,87)(H,69,85)(H,70,89)(H,71,86)(H,72,88)(H,73,82)(H,74,83)(H,75,90)(H,79,80)/t29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

GBQKLTZKGNZVHO-PVGVDLJESA-N

Smiles

n1cc([nH]c1)C[C@H]1C(N2[C@H](C(N[C@@H](C)C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(N1)=O)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)[C@@H](NC(CNC3=O)=O)CCCCN)Cc1ccccc1)CO)C(=O)N)NC([C@H](CCC(=O)O)N)=O)=O)CCC2)=O