RefMet Compound Details

RefMet ID	RM0136024
MW structure	37505 (View MW Metabolite Database details)
RefMet name	Tryptophan
Systematic name	(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
SMILES	c1ccc2c(c1)c(C[C@@H](C(=O)O)N)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	204.089878 (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	C11H12N2O2	View other entries in RefMet with this formula
InChI	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey	QIVBCDIJIAJPQS-VIFPVBQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	6305
ChEBI ID	16828
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Tryptophan

Rxn ID	KEGG Reaction	Enzyme
R00677	L-Tryptophan + H2O + Oxygen <=> Indolepyruvate + Ammonia + Hydrogen peroxide	L-Tryptophan:oxygen oxidoreductase (deaminating)
R00678	L-Tryptophan + Oxygen <=> L-Formylkynurenine	L-tryptophan:oxygen 2,3-oxidoreductase (decyclizing)
R00684	L-Tryptophan + 2-Oxoglutarate <=> Indolepyruvate + L-Glutamate	L-Tryptophan:2-oxoglutarate aminotransferase
R00685	L-Tryptophan <=> Tryptamine + CO2	L-tryptophan decarboxy-lyase
R01814	Tetrahydrobiopterin + L-Tryptophan + Oxygen <=> 5-Hydroxy-L-tryptophan + Dihydrobiopterin + H2O	L-Tryptophan,tetrahydrobiopterin:oxygen oxidoreductase (5-hydroxylating)
R03664	ATP + L-Tryptophan + tRNA(Trp) <=> AMP + Diphosphate + L-Tryptophanyl-tRNA(Trp)	L-Tryptophan -tRNA(Trp) ligase (AMP-forming)
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 Tryptophan

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	4
hsa01100	Metabolic pathways	3
hsa00970	Aminoacyl-tRNA biosynthesis	1