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Substance Name: Biotin-11-dutp
RN: 86303-25-5
InChIKey: AZRNEVJSOSKAOC-VPHBQDTQSA-N

Note

  • Used in detection of sickle cell anemia.

Molecular Formula

  • C28-H45-N6-O17-F3-S

Molecular Weight

  • 862.6765
 
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Names and Synonyms

Name of Substance

  • Biotin-11-dutp

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 86303-25-5

System Generated Number

  • 0086303255

Structure Descriptors

InChI

1S/C28H45N6O17P3S/c35-19-13-24(49-20(19)15-48-53(44,45)51-54(46,47)50-52(41,42)43)34-14-17(26(38)33-28(34)40)7-6-12-30-22(36)9-2-1-5-11-29-23(37)10-4-3-8-21-25-18(16-55-21)31-27(39)32-25/h6-7,14,18-21,24-25,35H,1-5,8-13,15-16H2,(H,29,37)(H,30,36)(H,44,45)(H,46,47)(H2,31,32,39)(H,33,38,40)(H2,41,42,43)/b7-6+/t18-,19-,20+,21-,24+,25-/m0/s1

InChIKey

AZRNEVJSOSKAOC-VPHBQDTQSA-N

Smiles

c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)/C=C/CNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4