RefMet Compound Details

RefMet ID	RM0028186
MW structure	49804 (View MW Metabolite Database details)
RefMet name	Indolepyruvate
Systematic name	3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid
SMILES	c1ccc2c(c1)c(CC(=O)C(=O)O)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Indolecarboxylic acids
Pubchem CID	803
ChEBI ID	29750
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Indolepyruvate

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 Indolepyruvate

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