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Substance Name: Metalloselenonein
RN: 134646-22-3
InChIKey: GFEYFEIFWFQTRU-QBEQLQFDSA-N

Note

  • Contains selenocysteine residues substituted for all cysteine residues in Neurospora crasa copper metallothionein.

Molecular Weight

  • 2562.6836
 
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Names and Synonyms

Name of Substance

  • Metalloselenonein

Systematic Name

  • Metallothionein (neurospora crassa copper-binding peptide moiety reduced), 3-(3-selenyl-L-alanine)-5-(3-selenyl-L-alanine)-11-(3-selenyl-L-alanine)-13-(3-selenyl-L-alanine)-17-(3-selenyl-L-alanine)-19-(3-selenyl-L-alanine)-22-(3-selenyl-L-alanine)-

Registry Numbers

CAS Registry Number

  • 134646-22-3

System Generated Number

  • 0134646223

Structure Descriptors

InChI

1S/C75H124N28O37Se7/c1-29(85-51(114)10-80-59(123)35(16-105)95-71(135)44(25-144)89-55(118)14-84-62(126)43(24-143)101-65(129)33(8-56(119)120)86-50(113)9-77)57(121)94-37(18-107)68(132)96-39(20-109)69(133)102-46(27-146)73(137)93-32(7-49(79)112)64(128)100-42(23-142)60(124)82-11-52(115)87-34(15-104)58(122)81-13-54(117)90-45(26-145)72(136)97-40(21-110)70(134)103-47(28-147)74(138)98-38(19-108)67(131)92-31(6-48(78)111)63(127)99-41(22-141)61(125)83-12-53(116)88-36(17-106)66(130)91-30(75(139)140)4-2-3-5-76/h29-47,104-110,141-147H,2-28,76-77H2,1H3,(H2,78,111)(H2,79,112)(H,80,123)(H,81,122)(H,82,124)(H,83,125)(H,84,126)(H,85,114)(H,86,113)(H,87,115)(H,88,116)(H,89,118)(H,90,117)(H,91,130)(H,92,131)(H,93,137)(H,94,121)(H,95,135)(H,96,132)(H,97,136)(H,98,138)(H,99,127)(H,100,128)(H,101,129)(H,102,133)(H,103,134)(H,119,120)(H,139,140)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

GFEYFEIFWFQTRU-QBEQLQFDSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C[SeH])C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C[SeH])C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C[SeH])C(=O)N[C@@H](CO)C(=O)N[C@@H](C[SeH])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C[SeH])C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C[SeH])NC(=O)CNC(=O)[C@H](C[SeH])NC(=O)[C@H](CC(=O)O)NC(=O)CN