FAB

FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE

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is present as a standalone ligand in 3 entries

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Chemical Component Summary
Name	FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE
Identifiers	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-(2-methylpropanoyl)-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]-2,3,4-trihydroxy-pentyl] phosphate
Formula	C₃₁ H₃₉ N₉ O₁₆ P₂
Molecular Weight	855.64
Type	NON-POLYMER
Isomeric SMILES	Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)C(=O)C(C)C
InChI	InChI=1S/C31H39N9O16P2/c1-12(2)29(47)40-16-6-14(4)13(3)5-15(16)38(27-21(40)28(46)37-31(48)36-27)7-17(41)22(43)18(42)8-53-57(49,50)56-58(51,52)54-9-19-23(44)24(45)30(55-19)39-11-35-20-25(32)33-10-34-26(20)39/h5-6,10-12,17-19,22-24,30,41-45H,7-9H2,1-4H3,(H4-,32,33,34,37,46,48,49,50,51,52)/t17-,18+,19+,22-,23+,24+,30+/m0/s1
InChIKey	VVZGWZAMSAFRNS-UYOVOMPXSA-N

Chemical Details
Formal Charge	0
Atom Count	97
Chiral Atom Count	8
Bond Count	102
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB03531 ?
Name	Flavin-adenine dinucleotide-N5-isobutyl ketone
Groups	experimental
Synonyms	Flavin-adenine dinucleotide-N5-isobutyl ketone

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
D-amino-acid oxidase	MRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAG...	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