RefMet Compound Details

MW structure37681 (View MW Metabolite Database details)
RefMet nameFAD
Systematic name{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
SMILESCc1cc2c(cc1C)N=C1C(=NC(=O)NC1=O)N2C[C@@H](O)[C@@H](O)[C@@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@
H]1O)[n]1c[n]c2c(N)[n]c[n]c12
Exact mass785.157142 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC27H33N9O15P2View other entries in RefMet with this formula
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)4
9-7-16-20(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
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassFlavins
Sub ClassFlavin nucleotides
Pubchem CID643975
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving FAD

Rxn IDKEGG ReactionEnzyme
R00160 FAD + H2O <=> AMP + FMNFAD nucleotidohydrolase
R00161 ATP + FMN <=> Diphosphate + FADATP:FMN adenylyltransferase

Table of KEGG human pathways containing FAD

Pathway IDHuman Pathway# of reactions
hsa00740 Riboflavin metabolism 2
  logo