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Substance Name: Conotoxin SI
RN: 115797-06-3
InChIKey: HZTKBXVGWKXCPU-DTTUQCIZSA-N

Note

  • From Conus striatus; blocks nicotinic acetylcholine receptors.

Molecular Formula

  • C55-H88-N16-O16-S4

Molecular Weight

  • 1357.66
 
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Names and Synonyms

Name of Substance

  • Conotoxin SI

Synonym

  • alpha-Conotoxin SI

Systematic Name

  • Conotoxin GI (reduced), 1-L-isoleucine-9-L-proline-10-L-lysine-

Registry Numbers

CAS Registry Number

  • 115797-06-3

System Generated Number

  • 0115797063

Structure Descriptors

InChI

1S/C55H88N16O16S4/c1-4-27(2)43(58)54(86)69-38(26-91)51(83)68-37(25-90)50(82)64-33(20-41(57)74)55(87)71-18-8-11-40(71)52(84)61-28(3)45(77)67-36(24-89)46(78)60-21-42(75)70-17-7-10-39(70)53(85)62-31(9-5-6-16-56)47(79)63-32(19-29-12-14-30(73)15-13-29)48(80)65-34(22-72)49(81)66-35(23-88)44(59)76/h12-15,27-28,31-40,43,72-73,88-91H,4-11,16-26,56,58H2,1-3H3,(H2,57,74)(H2,59,76)(H,60,78)(H,61,84)(H,62,85)(H,63,79)(H,64,82)(H,65,80)(H,66,81)(H,67,77)(H,68,83)(H,69,86)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40?,43-/m0/s1

InChIKey

HZTKBXVGWKXCPU-DTTUQCIZSA-N

Smiles

N([C@H](C(N[C@H](C(N[C@H](C(N1[C@@H](CCC1)C(N[C@H](C(N[C@H](C(NCC(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CS)C(N)=O)=O)CO)=O)Cc1ccc(cc1)O)=O)CCCCN)=O)=O)=O)CS)=O)C)=O)=O)CC(N)=O)=O)CS)=O)CS)C([C@H]([C@H](CC)C)N)=O