FAE

FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE


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Chemical Component Summary

NameFLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE
Identifiers[[(2R,3S,4R,5R)-5-(6-azanylpurin-7-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen phosphate
FormulaC27 H34 N9 O15 P2
Molecular Weight786.558
TypeNON-POLYMER
Isomeric SMILESCc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O
InChIInChI=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)/p+1/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-O

Chemical Details

Formal Charge1
Atom Count87
Chiral Atom Count7
Bond Count92
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB02332 
NameFlavin-N7 protonated-adenine dinucleotide
Groups experimental
SynonymsFlavin-N7 protonated-adenine dinucleotide

Drug Targets

NameTarget SequencePharmacological ActionActions
Cholesterol oxidaseMTAQQHLSRRRMLGMAAFGAAALAGGTTIAAPRAAAAAKSAADNGGYVPA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 131704201