RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0131839
RefMet name	5-Hydroxy-tryptophan
Systematic name	(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Synonyms	PubChem Synonyms
Exact mass	220.084793 (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	C11H12N2O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43616 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKey	LDCYZAJDBXYCGN-VIFPVBQESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc2c(cc1O)c(C[C@@H](C(=O)O)N)c[nH]2 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of 5-Hydroxy-tryptophan 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 5-Hydroxy-tryptophan
External Links
Pubchem CID	439280
ChEBI ID	17780
KEGG ID	C00643
HMDB ID	HMDB0000472
Chemspider ID	388413
MetaCyc ID	5-HYDROXY-TRYPTOPHAN
Spectral data for 5-Hydroxy-tryptophan standards
BMRB 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 5-Hydroxy-tryptophan

Rxn ID	KEGG Reaction	Enzyme
R01814	Tetrahydrobiopterin + L-Tryptophan + Oxygen <=> 5-Hydroxy-L-tryptophan + Dihydrobiopterin + H2O	L-Tryptophan,tetrahydrobiopterin:oxygen oxidoreductase (5-hydroxylating)
R02701	5-Hydroxy-L-tryptophan <=> Serotonin + CO2	5-Hydroxy-L-tryptophan decarboxy-lyase
R02702	5-Hydroxy-L-tryptophan + Oxygen <=> 5-Hydroxy-N-formylkynurenine	5-hydroxy-L-tryptophan:oxygen 2,3-dioxygenase (indole-decyclizing)

Table of KEGG human pathways containing 5-Hydroxy-tryptophan

Pathway ID	Human Pathway	# of reactions
hsa00380	Tryptophan metabolism	3