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Substance Name: 8-(Methylsulfonyl)fad
RN: 149091-08-7
InChIKey: KLHNBGPKXHQYCN-UHFFFAOYSA-N

Molecular Weight

  • 849.618
 
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Names and Synonyms

Name of Substance

  • 8-(Methylsulfonyl)fad

Systematic Name

  • Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-(methylsulfonyl)-, P'->5'-ester with adenosine

Registry Numbers

CAS Registry Number

  • 149091-08-7

System Generated Number

  • 0149091087

Structure Descriptors

InChI

1S/C27H33N9O17P2S/c1-10-3-11-12(4-16(10)56(2,48)49)35(24-18(32-11)25(42)34-27(43)33-24)5-13(37)19(39)14(38)6-50-54(44,45)53-55(46,47)51-7-15-20(40)21(41)26(52-15)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,13-15,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)

InChIKey

KLHNBGPKXHQYCN-UHFFFAOYSA-N

Smiles

S(C)(c1cc2c(nc3c([nH]c(nc3n2C[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](O[P@@](O)(OC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)n2cnc3c(N)ncnc23)=O)(=O)O)=O)=O)cc1C)(=O)=O