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Substance Name: 2-Thio-fad
RN: 43203-75-4
InChIKey: CXZGKQFPEIKTLU-KUIMXZBMSA-N

Note

  • Differs from native FAD.

Molecular Weight

  • 801.621
 
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Names and Synonyms

Name of Substance

  • 2-Thio-fad

Systematic Name

  • Riboflavin-5'-(trihydrogen diphosphate), 2-thio-, 5'-5'-ester with adenosine

Registry Numbers

CAS Registry Number

  • 43203-75-4

System Generated Number

  • 0043203754

Structure Descriptors

InChI

1S/C27H33N9O14P2S/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(53)33-24)5-14(37)19(39)15(38)6-47-51(43,44)50-52(45,46)48-7-16-20(40)21(41)26(49-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,43,44)(H,45,46)(H2,28,29,30)(H,34,42,53)/t14?,15?,16-,19?,20-,21-,26-/m1/s1

InChIKey

CXZGKQFPEIKTLU-KUIMXZBMSA-N

Smiles

O(C[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@@H]([C@@H]1O)O)[P@@](=O)(O)O[P@@](=O)(OC[C@@H]([C@@H]([C@@H](Cn1c2c(nc3c1cc(C)c(c3)C)c([nH]c(n2)=S)=O)O)O)O)O