RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0030050
RefMet name	N10-Formyl-THF
Systematic name	(2S)-2-[(4-{N-[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid
Synonyms	PubChem Synonyms
Exact mass	473.165898 (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	C20H23N7O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50196 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	AUFGTPPARQZWDO-YPMHNXCESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@H]1CNc2c(c(=O)[nH]c(N)n2)N1)C=O 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 N10-Formyl-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 N10-Formyl-THF
External Links
Pubchem CID	135398556
ChEBI ID	195364
KEGG ID	C00234
HMDB ID	HMDB0000972
MetaCyc ID	10-FORMYL-THF
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 N10-Formyl-THF

Rxn ID	KEGG Reaction	Enzyme
R00941	10-Formyltetrahydrofolate + NADP+ + H2O <=> Tetrahydrofolate + CO2 + NADPH + H+	10-formyltetrahydrofolate:NADP+ oxidoreductase
R00943	Tetrahydrofolate + Formate + ATP <=> ADP + Orthophosphate + 10-Formyltetrahydrofolate	Formate:tetrahydrofolate ligase (ADP-forming)
R00944	10-Formyltetrahydrofolate + H2O <=> Formate + Tetrahydrofolate	10-Formyltetrahydrofolate amidohydrolase
R01655	5,10-Methenyltetrahydrofolate + H2O <=> 10-Formyltetrahydrofolate + H+	5,10-Methenyltetrahydrofolate 5-hydrolase (decyclizing)
R03940	L-Methionyl-tRNA + 10-Formyltetrahydrofolate <=> Tetrahydrofolate + N-Formylmethionyl-tRNA	10-Formyltetrahydrofolate:L-methionyl-tRNA N-formyltransferase
R04325	10-Formyltetrahydrofolate + 5'-Phosphoribosylglycinamide <=> Tetrahydrofolate + 5'-Phosphoribosyl-N-formylglycinamide	10-formyltetrahydrofolate:5'-phosphoribosylglycinamide formyltransferase
R04560	10-Formyltetrahydrofolate + 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide <=> Tetrahydrofolate + 1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	10-Formyltetrahydrofolate:5'-phosphoribosyl-5-amino-4-imidazolecarboxamide formyltransferase

Table of KEGG human pathways containing N10-Formyl-THF

Pathway ID	Human Pathway	# of reactions
hsa00670	One carbon pool by folate	6
hsa00230	Purine metabolism	2
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa01100	Metabolic pathways	1