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Substance Name: 1,5-Dihydro-fad
RN: 1910-41-4
InChIKey: YPZRHBJKEMOYQH-UYBVJOGSSA-N

Note

  • Chromophore component of E coli DNA photolyase.

Molecular Formula

  • C27-H35-N9-O15-P2

Molecular Weight

  • 787.5695
 
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Names and Synonyms

Name of Substance

  • 1,5-Dihydro-fad

Synonym

  • FADH2

Systematic Name

  • Riboflavin 5'-(trihydrogen diphosphate), 1,5-dihydro-, P'-5'-ester with adenosine

Registry Numbers

CAS Registry Number

  • 1910-41-4

System Generated Number

  • 0001910414

Structure Descriptors

InChI

1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

YPZRHBJKEMOYQH-UYBVJOGSSA-N

Smiles

Cc1cc2c(cc1C)N(c3c(c(=O)[nH]c(=O)[nH]3)N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O