RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136109
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
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	37845 (Download molfile/View MW Metabolite Database details)
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
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)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Alloxazines and isoalloxazines
Sub Class	Flavins
Distribution of FMN in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting FMN
External Links
Pubchem CID	643976
ChEBI ID	17621
KEGG ID	C00061
HMDB ID	HMDB0001520
Chemspider ID	559060
MetaCyc ID	FMN
Spectral data for FMN standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
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
R00161	ATP + FMN <=> Diphosphate + FAD	ATP:FMN adenylyltransferase
R00548	FMN + H2O <=> Riboflavin + Orthophosphate	riboflavin-5-phosphate phosphohydrolase
R00549	ATP + Riboflavin <=> ADP + FMN	ATP:riboflavin 5'-phosphotransferase
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