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Substance Name: Biotinyl-adenoside diphosphate
RN: 100844-62-0
InChIKey: DMZDLCTXFPJCIZ-UHFFFAOYSA-N

Molecular Formula

  • C28-H45-N9-O13-P2-S

Molecular Weight

  • 809.727
 
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Names and Synonyms

Name of Substance

  • Biotinyl-adenoside diphosphate

Synonym

  • Biotinyl-ADP

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), N-(2-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)hexyl)amino)-2-oxomethyl)-, (3aS-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 100844-62-0

System Generated Number

  • 0100844620

Structure Descriptors

InChI

1S/C28H45N9O13P2S/c38-19(8-4-3-7-18-21-16(13-53-18)35-28(42)36-21)29-9-5-1-2-6-10-30-20(39)11-31-25-22-26(33-14-32-25)37(15-34-22)27-24(41)23(40)17(49-27)12-48-52(46,47)50-51(43,44)45/h14-18,21,23-24,27,40-41H,1-13H2,(H,29,38)(H,30,39)(H,46,47)(H,31,32,33)(H2,35,36,42)(H2,43,44,45)

InChIKey

DMZDLCTXFPJCIZ-UHFFFAOYSA-N

Smiles

S1[C@@H](CCCCC(NCCCCCCNC(CNc2c3ncn(c3ncn2)[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](O)(=O)OP(O)(O)=O)O)O)=O)=O)[C@@H]2[C@@H](C1)NC(N2)=O