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Substance Name: S-Neplanocylmethionine
RN: 90700-92-8
InChIKey: HZQGNPXDXPJJIS-UHFFFAOYSA-N

Note

  • Metabolite of neplanocin A; substrate for catechol-O-methyltransferase.

Molecular Weight

  • 394.454
 
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Names and Synonyms

Name of Substance

  • S-Neplanocylmethionine

Synonym

  • S-Neplanocyl-L-methionine

Systematic Name

  • Sulfonium, (3-amino-3-carboxypropyl)((3-(6-amino-9H-purin-9-yl)-4,5-dihydroxy-1-cyclopenten-1-yl)methyl)methyl-, hydroxide, inner salt, (3R-(1(S*),3alpha,4beta,5beta))-

Registry Numbers

CAS Registry Number

  • 90700-92-8

System Generated Number

  • 0090700928

Structure Descriptors

InChI

1S/C16H22N6O4S/c17-9(16(25)26)2-1-3-27-5-8-4-10(13(24)12(8)23)22-7-21-11-14(18)19-6-20-15(11)22/h4,6-7,9-10,12-13,23-24H,1-3,5,17H2,(H,25,26)(H2,18,19,20)

InChIKey

HZQGNPXDXPJJIS-UHFFFAOYSA-N

Smiles

[S+](CCC[C@@H](C(=O)[O-])N)CC1=C[C@@H]([C@@H]([C@@H]1O)O)n1cnc2c(ncnc12)N