RefMet Compound Details

MW structure	37845 (View MW Metabolite Database details)
RefMet name	FMN
Systematic name	{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid
SMILES	Cc1cc2c(cc1C)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)c1c(c(=O)[nH]c(=O)n1)n2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	456.104619 (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	C17H21N4O9P	View other entries in RefMet with this formula
InChI	InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22- 24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKey	FVTCRASFADXXNN-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	643976
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving FMN

Rxn ID	KEGG Reaction	Enzyme
R00160	FAD + H2O <=> AMP + FMN	FAD nucleotidohydrolase
R00548	FMN + H2O <=> Riboflavin + Orthophosphate	riboflavin-5-phosphate phosphohydrolase
R00549	ATP + Riboflavin <=> ADP + FMN	ATP:riboflavin 5'-phosphotransferase
R00161	ATP + FMN <=> Diphosphate + FAD	ATP:FMN adenylyltransferase
R00550	D-Glucose 1-phosphate + Riboflavin <=> D-Glucose + FMN	D-Glucose-1-phosphate:riboflavin 5'-phosphotransferase
R08574	CTP + Riboflavin <=> CDP + FMN	CTP:riboflavin 5'-phosphotransferase

Table of KEGG human pathways containing FMN

Pathway ID	Human Pathway	# of reactions
hsa00740	Riboflavin metabolism	4
hsa01100	Metabolic pathways	2