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Substance Name: Flavin 1,N(6)-ethenoadenine dinucleotide
RN: 38628-24-9
InChIKey: JLWOWKGKKFQUID-ZBMPBUKJSA-N

Note

  • Fluorescent derivative of FAD.

Molecular Weight

  • 846.037
 
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Names and Synonyms

Name of Substance

  • Flavin 1,N(6)-ethenoadenine dinucleotide

Systematic Name

  • Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with 3,9-dihydro-3-beta-D-ribofuranosylimidazo(2,1-i)purin-6-ium chloride

Registry Numbers

CAS Registry Number

  • 38628-24-9

System Generated Number

  • 0038628249

Structure Descriptors

InChI

1S/C29H33N9O15P2.ClH/c1-12-5-14-15(6-13(12)2)37(26-20(33-14)27(44)35-29(45)34-26)7-16(39)21(41)17(40)8-50-54(46,47)53-55(48,49)51-9-18-22(42)23(43)28(52-18)38-11-31-19-24-30-3-4-36(24)10-32-25(19)38;/h3-6,10-11,16-18,21-23,28,39-43H,7-9H2,1-2H3,(H3,35,44,45,46,47,48,49);1H/t16-,17+,18-,21-,22-,23-,28-;/m1./s1

InChIKey

JLWOWKGKKFQUID-ZBMPBUKJSA-N

Smiles

c1[n+]2c([nH]cc2)c2ncn([C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]([C@@H]([C@@H](Cn3c4c(nc5c3cc(C)c(c5)C)c([nH]c(n4)=O)=O)O)O)O)c2n1.[ClH-]