RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0009097
RefMet name	5-Formimidoyl-THF
Systematic name	N-[4-({[(6S)-2-amino-5-formimidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
Synonyms	PubChem Synonyms
Exact mass	472.181882 (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	C20H24N8O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50198 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9, 12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t12-,13-/m0/s1
InChIKey	YCWUVLPMLLBDCU-STQMWFEESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]1CNc2c(c(=O)[nH]c(N)n2)N1C=N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pterins
Sub Class	Tetrahydrofolic acids
Distribution of 5-Formimidoyl-THF in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting 5-Formimidoyl-THF
External Links
Pubchem CID	135398659
ChEBI ID	15639
KEGG ID	C00664
HMDB ID	HMDB0001534
MetaCyc ID	CPD-671
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 5-Formimidoyl-THF

Rxn ID	KEGG Reaction	Enzyme
R02287	5-Formiminotetrahydrofolate + L-Glutamate <=> Tetrahydrofolate + N-Formimino-L-glutamate	5-Formiminotetrahydrofolate:L-glutamate N-formiminotransferase
R02302	5-Formiminotetrahydrofolate + H+ <=> 5,10-Methenyltetrahydrofolate + Ammonia	5-Formiminotetrahydrofolate ammonia-lyase (cyclizing)

Table of KEGG human pathways containing 5-Formimidoyl-THF

Pathway ID	Human Pathway	# of reactions
hsa00670	One carbon pool by folate	1