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Substance Name: Biotin-12-SS-dutp
RN: 97068-12-7
InChIKey: OWJRLHWTPUNEQA-ONEGZZNKSA-N

Molecular Formula

  • C27-H43-N6-O17-P3-S3

Molecular Weight

  • 912.782
 
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Names and Synonyms

Name of Substance

  • Biotin-12-SS-dutp

Synonym

  • Bio-12-SS-dutp

Systematic Name

  • Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(3-((3-((2-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)ethyl)dithio)-1-oxopropyl)amino)-1-propenyl)-, (3aR-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 97068-12-7

System Generated Number

  • 0097068127

Structure Descriptors

InChI

1S/C27H43N6O17P3S3/c34-18-12-23(48-19(18)14-47-52(43,44)50-53(45,46)49-51(40,41)42)33-13-16(25(37)32-27(33)39)4-3-8-28-22(36)7-10-55-56-11-9-29-21(35)6-2-1-5-20-24-17(15-54-20)30-26(38)31-24/h3-4,13,17-20,23-24,34H,1-2,5-12,14-15H2,(H,28,36)(H,29,35)(H,43,44)(H,45,46)(H2,30,31,38)(H,32,37,39)(H2,40,41,42)/b4-3+

InChIKey

OWJRLHWTPUNEQA-ONEGZZNKSA-N

Smiles

S1[C@@H]([C@@H]2NC(N[C@@H]2C1)=O)CCCCC(NCCSSCCC(NC\C=C\c1c(=O)[nH]c(=O)n(c1)[C@@H]1O[C@@H]([C@@H](O)C1)CO[P@@](O)(O[P@@](=O)(O)OP(=O)(O)O)=O)=O)=O