small molecule

Flavin adenine dinucleotide

Synonyms/Brands: FAD, FLAVIN-adenine dinucleotide, Flavin adenine dinucleotide, Riboflavin 5'-adenosine diphosphate, Adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate], Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine, Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)Flavin adenine dinucleotide is approved for use in Japan under the trade name Adeflavin as an ophthalmic treatment for vitamin B2 deficiency.
Molecular Formula: C27H33N9O15P2
Molecular Weight:: 785.5497
CAS:: 146-14-5
InChiKey:: VWWQXMAJTJZDQX-UYBVJOGSSA-N
InChi:: InChI=1S/C27H33N9O15P2/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/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
SMILES:: CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
IUPAC Name:: [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy})phosphinic acid
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