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Substance Name: S-Adenosylethionine
RN: 524-70-9
InChIKey: UBQZUBPODLPCFG-UHFFFAOYSA-N

Molecular Formula

  • C16-H24-N6-O5-S

Molecular Weight

  • 412.469
 
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Names and Synonyms

Name of Substance

  • S-Adenosylethionine

Synonym

  • (S)-5'-((3-Amino-3-carboxypropyl)ethylsulfonio)-5'-deoxyadenosine inner salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 524-70-9

System Generated Number

  • 0000524709

Structure Descriptors

InChI

1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)

InChIKey

UBQZUBPODLPCFG-UHFFFAOYSA-N

Smiles

c12c(ncnc2n(cn1)[C@@H]1O[C@@H]([C@@H](O)[C@@H]1O)C[S@@+](CC[C@@H](C([O-])=O)N)CC)N