RefMet Compound Details

RefMet IDRM0135919
MW structure37156 (View MW Metabolite Database details)
RefMet nameRiboflavin   Species distribution   Sample source distribution
Systematic name7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)n(C[C@@H]([C@@H]([C@@H](CO)O)O)O)c1c(c(=O)[nH]c(=O)n1)n2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass376.138286 (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
FormulaC17H20N4O6View other entries in RefMet with this formula
InChIInChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2
H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChIKeyAUNGANRZJHBGPY-SCRDCRAPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassAlloxazines and isoalloxazines
Sub ClassFlavins
Pubchem CID493570
ChEBI ID17015
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Riboflavin

Rxn IDKEGG ReactionEnzyme
R00548 FMN + H2O <=> Riboflavin + Orthophosphateriboflavin-5-phosphate phosphohydrolase
R00549 ATP + Riboflavin <=> ADP + FMNATP:riboflavin 5'-phosphotransferase
R00550 D-Glucose 1-phosphate + Riboflavin <=> D-Glucose + FMND-Glucose-1-phosphate:riboflavin 5'-phosphotransferase
R05707 Reduced riboflavin + NADP+ <=> Riboflavin + NADPH + H+reduced-riboflavin:NADP+ oxidoreductase
R08574 CTP + Riboflavin <=> CDP + FMNCTP:riboflavin 5'-phosphotransferase
R09750 Reduced riboflavin + NAD+ <=> Riboflavin + NADH + H+reduced-riboflavin:NAD+ oxidoreductase

Table of KEGG human pathways containing Riboflavin

Pathway IDHuman Pathway# of reactions
hsa00740 Riboflavin metabolism 3
hsa01100 Metabolic pathways 3
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