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Substance Name: S-Adenosylethionine
RN: 26892-00-2
InChIKey: IXBQZRNGHPEEGB-NKPTYXTBSA-N

Molecular Formula

  • C16-H24-N6-O5-S

Molecular Weight

  • 398.4418
 
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Names and Synonyms

Results Name

  • S-Adenosylethionine

Systematic Name

  • Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 26892-00-2

System Generated Number

  • 0026892002

Structure Descriptors

InChI

1S/C15H22N6O5S/c1-2-27(4-3-7(16)14(24)25)15-10(23)9(22)13(26-15)21-6-20-8-11(17)18-5-19-12(8)21/h5-7,9-10,13,15,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7?,9-,10+,13-,15-,27?/m1/s1

InChIKey

IXBQZRNGHPEEGB-NKPTYXTBSA-N

Smiles

CC[S+](CCC(C(=O)[O-])N)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O