RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0040297
RefMet name	Formylanthranilic acid
Systematic name	2-formamidobenzoic acid
Synonyms	PubChem Synonyms
Exact mass	165.042594 (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	C8H7NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38464 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)
InChIKey	LLLPDUXGHXIXIW-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc(c(c1)C(=O)O)NC=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Benzenes
Sub Class	Hydroxybenzoic acids
Distribution of Formylanthranilic acid 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 Formylanthranilic acid
External Links
Pubchem CID	101399
ChEBI ID	36575
KEGG ID	C05653
HMDB ID	HMDB0004089
Chemspider ID	91624
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 Formylanthranilic acid

Rxn ID	KEGG Reaction	Enzyme
R00988	Formylanthranilate + H2O <=> Formate + Anthranilate	N-Formylanthranilate amidohydrolase
R03936	L-Formylkynurenine + H2O <=> Formylanthranilate + L-Alanine	Formylkynurenine hydrolase

Table of KEGG human pathways containing Formylanthranilic acid

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	2