RefMet Compound Details

MW structure	37156 (View MW Metabolite Database details)
RefMet name	Riboflavin
Systematic name	7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
SMILES	Cc1cc2c(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 mass	376.138286 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C17H20N4O6	View other entries in RefMet with this formula
InChI	InChI=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
InChIKey	AUNGANRZJHBGPY-SCRDCRAPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organoheterocyclic compounds
Main Class	Alloxazines and isoalloxazines
Sub Class	Flavins
Pubchem CID	493570
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Riboflavin

Rxn ID	KEGG Reaction	Enzyme
R00548	FMN + H2O <=> Riboflavin + Orthophosphate	riboflavin-5-phosphate phosphohydrolase
R00549	ATP + Riboflavin <=> ADP + FMN	ATP:riboflavin 5'-phosphotransferase
R05707	Reduced riboflavin + NADP+ <=> Riboflavin + NADPH + H+	reduced-riboflavin:NADP+ oxidoreductase
R08574	CTP + Riboflavin <=> CDP + FMN	CTP:riboflavin 5'-phosphotransferase
R09750	Reduced riboflavin + NAD+ <=> Riboflavin + NADH + H+	reduced-riboflavin:NAD+ oxidoreductase
R00550	D-Glucose 1-phosphate + Riboflavin <=> D-Glucose + FMN	D-Glucose-1-phosphate:riboflavin 5'-phosphotransferase

Table of KEGG human pathways containing Riboflavin

Pathway ID	Human Pathway	# of reactions
hsa00740	Riboflavin metabolism	3
hsa01100	Metabolic pathways	3