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Substance Name: S-(5'-Deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene
RN: 142697-76-5
InChIKey: XHPMJOLFPZNQBZ-OZHVXATGSA-M

Molecular Formula

  • C16-H23-N6-O3-S.H2-O4-S.H-O4-S

Molecular Weight

  • 590.6094
 
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Names and Synonyms

Name of Substance

  • S-(5'-Deoxy-5'-adenosyl)-1-ammonio-4-(methylsulfonio)-2-cyclopentene

Synonyms

  • (1R-(1alpha,4beta))-5'-((4-Amino-2-cyclopenten-1-yl)methylsulfonio)-5'-deoxyadenosine sulfate (salt) (1:1:1)
  • 5'-((4-Amino-2-cyclopenten-1-yl)methylsulfonio)-5'-deoxyadenosine (1R-(1alpha,4beta))-, sulfate (salt), sulfate (salt) (1:1:1)
  • Adomac
  • Adomac disulfate
  • Adomac disulfate (1R(-)-(1alpha,4beta))-
  • Adomac disulfate (1S(-)-(1alpha,4alpha))-

Systematic Name

  • Adenosine, 5'-((4-amino-2-cyclopenten-1-yl)methylsulfonio)-5'-deoxy-, (1R-(1alpha,4beta))-, sulfate (salt), sulfate (salt) (1:1:1)

Registry Numbers

CAS Registry Number

  • 142697-76-5

System Generated Number

  • 0142697765

Molecular Formulas

Molecular Formula

  • C16-H23-N6-O3-S.H2-O4-S.H-O4-S

Molecular Formula Fragments

  • C16-H23-N6-O3-S
  • COMPONENT
  • H-O4-S
  • H2-O4-S

Structure Descriptors

InChI

1S/C16H23N6O4S.2H2O4S/c1-27(8-3-2-7(17)4-8)16(25)12-10(23)11(24)15(26-12)22-6-21-9-13(18)19-5-20-14(9)22;2*1-5(2,3)4/h2-3,5-8,10-12,15-16,23-25H,4,17H2,1H3,(H2,18,19,20);2*(H2,1,2,3,4)/q+1;;/p-1/t7?,8?,10-,11+,12-,15+,16?,27?;;/m0../s1

InChIKey

XHPMJOLFPZNQBZ-OZHVXATGSA-M

Smiles

C[S+](C1CC(C=C1)N)C([C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)[O-]