RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0028186
RefMet name	Indolepyruvic acid
Alternative name	Indolepyruvate
Systematic name	3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid
Synonyms	PubChem Synonyms
Exact mass	203.058244 (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	C11H9NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49804 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKey	RSTKLPZEZYGQPY-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1ccc2c(c1)c(CC(=O)C(=O)O)c[nH]2 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Indolecarboxylic acids
Distribution of Indolepyruvic 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 Indolepyruvic acid
External Links
Pubchem CID	803
ChEBI ID	29750
KEGG ID	C00331
HMDB ID	HMDB0060484
EPA CompTox	DTXCID1022053
Spectral data for Indolepyruvic acid standards
BMRB ID(NMR)	View NMR spectra
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 Indolepyruvic acid

Rxn ID	KEGG Reaction	Enzyme
R00677	L-Tryptophan + H2O + Oxygen <=> Indolepyruvate + Ammonia + Hydrogen peroxide	L-Tryptophan:oxygen oxidoreductase (deaminating)
R00684	L-Tryptophan + 2-Oxoglutarate <=> Indolepyruvate + L-Glutamate	L-Tryptophan:2-oxoglutarate aminotransferase
R10180	L-Tryptophan + Pyruvate <=> Indolepyruvate + L-Alanine	L-tryptophan:pyruvate aminotransferase
R12055	L-Methionine + Indolepyruvate <=> 4-Methylthio-2-oxobutanoic acid + L-Tryptophan	L-methionine:indole-3-pyruvic acid aminotransferase

Table of KEGG human pathways containing Indolepyruvic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	3
hsa00380	Tryptophan metabolism	1