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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2009-07-25 00:07:57 UTC

Update Date

2021-09-14 15:20:32 UTC

HMDB ID

HMDB0012819

Secondary Accession Numbers

HMDB12819

Metabolite Identification

Common Name

5-Hydroxykynurenine

Description

5-Hydroxykynurenine belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. A hydroxykynurenine that is kynurenine bearing a hydroxy group at the position 5. 5-Hydroxykynurenine is a very strong basic compound (based on its pKa). Within humans, 5-hydroxykynurenine participates in a number of enzymatic reactions. In particular, 5-hydroxykynurenine and formic acid can be biosynthesized from 5-hydroxy-N-formylkynurenine; which is mediated by the enzyme kynurenine formamidase. In addition, 5-hydroxykynurenine can be converted into 5-hydroxykynurenamine; which is mediated by the enzyme aromatic-L-amino-acid decarboxylase. In humans, 5-hydroxykynurenine is involved in tryptophan metabolism.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241204052D          

 16 16  0  0  0  0            999 V2000
   12.7992  -12.9185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116  -12.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7992  -11.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116  -10.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0366  -10.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7992  -10.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116   -9.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7992   -8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116   -7.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9743   -8.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5618   -9.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9743  -10.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5618  -10.7755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0366  -12.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491  -12.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491  -11.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012819

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)

> <INCHI_KEY>
OTDQYOVYQQZAJL-UHFFFAOYSA-N

> <FORMULA>
C10H12N2O4

> <MOLECULAR_WEIGHT>
224.2133

> <EXACT_MASS>
224.079706882

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
21.525399736709765

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

> <ALOGPS_LOGP>
-2.17

> <JCHEM_LOGP>
-2.2166730141507074

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.89292664584021

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9781795743085331

> <JCHEM_PKA_STRONGEST_BASIC>
8.908716626078787

> <JCHEM_POLAR_SURFACE_AREA>
126.64000000000001

> <JCHEM_REFRACTIVITY>
57.03110000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxykynurenine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0      23.892 -24.115   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      24.662 -22.781   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.892 -21.447   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      24.662 -20.114   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      26.202 -20.114   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      23.892 -18.781   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.662 -17.447   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.892 -16.113   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      24.662 -14.779   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      22.352 -16.113   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.582 -17.447   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      22.352 -18.781   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      21.582 -20.114   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      26.202 -22.781   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      26.972 -24.115   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      26.972 -21.447   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12    6   11   13                                                  
CONECT   13   12                                                            
CONECT   14    2   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0012819
HETATM    1  N1  UNL     1      -1.664  -2.424  -0.758  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.083  -1.132  -0.394  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.407  -0.888  -0.127  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.817   0.383   0.229  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.872   1.377   0.304  1.00  0.00           C  
HETATM    6  O1  UNL     1      -3.267   2.648   0.658  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.529   1.121   0.031  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.117  -0.138  -0.322  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.271  -0.457  -0.596  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.571  -1.668  -0.888  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.406   0.480  -0.577  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.491  -0.029   0.356  1.00  0.00           C  
HETATM   13  N2  UNL     1       3.022  -1.309  -0.005  1.00  0.00           N  
HETATM   14  C10 UNL     1       3.532   1.012   0.566  1.00  0.00           C  
HETATM   15  O3  UNL     1       3.100   2.173   0.843  1.00  0.00           O  
HETATM   16  O4  UNL     1       4.883   0.722   0.462  1.00  0.00           O  
HETATM   17  H1  UNL     1      -1.588  -3.154  -0.033  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.435  -2.636  -1.740  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.159  -1.671  -0.186  1.00  0.00           H  
HETATM   20  H4  UNL     1      -4.868   0.539   0.431  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.616   3.429   0.735  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.834   1.936   0.106  1.00  0.00           H  
HETATM   23  H7  UNL     1       1.072   1.474  -0.296  1.00  0.00           H  
HETATM   24  H8  UNL     1       1.865   0.530  -1.615  1.00  0.00           H  
HETATM   25  H9  UNL     1       2.029  -0.170   1.383  1.00  0.00           H  
HETATM   26  H10 UNL     1       3.101  -1.490  -1.010  1.00  0.00           H  
HETATM   27  H11 UNL     1       2.438  -2.056   0.429  1.00  0.00           H  
HETATM   28  H12 UNL     1       5.473   1.400  -0.001  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3    3    8
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6    7
CONECT    6   21
CONECT    7    8    8   22
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   23   24
CONECT   12   13   14   25
CONECT   13   26   27
CONECT   14   15   15   16
CONECT   16   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid	ChEBI
2-Amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoate	Generator
5-Hydroxy-L-kynurenine	HMDB
5-Hydroxykynurenine, (L)-isomer	HMDB

Chemical Formula

C₁₀H₁₂N₂O₄

Average Molecular Weight

224.2133

Monoisotopic Molecular Weight

224.079706882

IUPAC Name

2-amino-4-(2-amino-5-hydroxyphenyl)-4-oxobutanoic acid

Traditional Name

5-hydroxykynurenine

CAS Registry Number

720-00-3

SMILES

NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O

InChI Identifier

InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)

InChI Key

OTDQYOVYQQZAJL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alkyl-phenylketones

Alternative Parents

Substituents

Alkyl-phenylketone
Butyrophenone
Alpha-amino acid
Alpha-amino acid or derivatives
P-aminophenol
Aminophenol
Benzoyl
Gamma-keto acid
Aryl alkyl ketone
Aniline or substituted anilines
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Beta-aminoketone
Keto acid
Vinylogous amide
Amino acid
Amino acid or derivatives
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Organic oxide
Amine
Organonitrogen compound
Primary amine
Hydrocarbon derivative
Primary aliphatic amine
Organopnictogen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

hydroxykynurenine (CHEBI:2076 )

Ontology

Not Available

Feces (HMDB: HMDB0012819)

Excreta

Biofluid or Excreta

Feces (PMID: 27786174)

Source

Endogenous

Endogenous (HMDB: HMDB0012819)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Tryptophan Metabolism (HMDB: HMDB0012819)

Tryptophan Metabolism (HMDB: HMDB0012819)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.12 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-2.2	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	0.98	ChemAxon
pKa (Strongest Basic)	8.91	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	126.64 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.03 m³·mol⁻¹	ChemAxon
Polarizability	21.53 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	152.891	31661259
DarkChem	[M-H]-	147.622	31661259
DeepCCS	[M+H]+	149.598	30932474
DeepCCS	[M-H]-	147.24	30932474
DeepCCS	[M-2H]-	180.77	30932474
DeepCCS	[M+Na]+	155.752	30932474
AllCCS	[M+H]+	150.3	32859911
AllCCS	[M+H-H2O]+	146.4	32859911
AllCCS	[M+NH4]+	153.8	32859911
AllCCS	[M+Na]+	154.9	32859911
AllCCS	[M-H]-	147.4	32859911
AllCCS	[M+Na-2H]-	147.7	32859911
AllCCS	[M+HCOO]-	148.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-Hydroxykynurenine	NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O	3698.3	Standard polar	33892256
5-Hydroxykynurenine	NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O	2125.8	Standard non polar	33892256
5-Hydroxykynurenine	NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O	2569.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-Hydroxykynurenine,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(N)C(=O)O)=C1	2359.7	Semi standard non polar	33892256
5-Hydroxykynurenine,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N	2355.7	Semi standard non polar	33892256
5-Hydroxykynurenine,1TMS,isomer #3	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N)C(=O)O	2412.2	Semi standard non polar	33892256
5-Hydroxykynurenine,1TMS,isomer #4	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N)C(=O)O	2443.5	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N	2370.8	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N)C(=O)O	2431.3	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #3	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)C(=O)O	2397.0	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N)C(=O)O[Si](C)(C)C	2390.2	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #5	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	2432.9	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #6	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	2524.4	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #7	C[Si](C)(C)N(C(CC(=O)C1=CC(O)=CC=C1N)C(=O)O)[Si](C)(C)C	2590.5	Semi standard non polar	33892256
5-Hydroxykynurenine,2TMS,isomer #8	C[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(N)C(=O)O)[Si](C)(C)C	2495.5	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C	2384.3	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C	2354.9	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C	3070.7	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #10	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2664.8	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #10	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2594.1	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #10	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3048.7	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	2455.2	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	2378.2	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	2996.5	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #3	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	2475.2	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #3	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	2419.8	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #3	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	2992.6	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	2425.2	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	2483.3	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	3154.6	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	2507.5	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	2488.5	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	3168.9	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #6	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2460.7	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #6	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2448.1	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #6	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2888.0	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	2534.3	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	2479.9	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	3167.7	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2434.9	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2461.4	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	3049.8	Standard polar	33892256
5-Hydroxykynurenine,3TMS,isomer #9	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2490.8	Semi standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #9	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2542.0	Standard non polar	33892256
5-Hydroxykynurenine,3TMS,isomer #9	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3006.5	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #1	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2496.9	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #1	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2411.2	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #1	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2697.2	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	2515.6	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	2493.4	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N)N([Si](C)(C)C)[Si](C)(C)C	3007.8	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2451.3	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2451.8	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C	2827.1	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2458.3	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2493.9	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2775.7	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #5	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2630.5	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #5	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2525.8	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #5	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2851.1	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #6	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2445.1	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #6	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2489.6	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #6	C[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2691.0	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #7	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2617.2	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #7	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2563.4	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #7	C[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2774.7	Standard polar	33892256
5-Hydroxykynurenine,4TMS,isomer #8	C[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2664.7	Semi standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #8	C[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2660.9	Standard non polar	33892256
5-Hydroxykynurenine,4TMS,isomer #8	C[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2847.8	Standard polar	33892256
5-Hydroxykynurenine,5TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2471.6	Semi standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2470.3	Standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2520.5	Standard polar	33892256
5-Hydroxykynurenine,5TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2659.9	Semi standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2524.6	Standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #2	C[Si](C)(C)NC1=CC=C(O[Si](C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2636.3	Standard polar	33892256
5-Hydroxykynurenine,5TMS,isomer #3	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	2662.9	Semi standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #3	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	2611.7	Standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #3	C[Si](C)(C)OC1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	2654.5	Standard polar	33892256
5-Hydroxykynurenine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2650.1	Semi standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2622.1	Standard non polar	33892256
5-Hydroxykynurenine,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2607.1	Standard polar	33892256
5-Hydroxykynurenine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2721.6	Semi standard non polar	33892256
5-Hydroxykynurenine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2584.1	Standard non polar	33892256
5-Hydroxykynurenine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C)=CC=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2490.3	Standard polar	33892256
5-Hydroxykynurenine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(N)C(=O)O)=C1	2642.7	Semi standard non polar	33892256
5-Hydroxykynurenine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N	2646.0	Semi standard non polar	33892256
5-Hydroxykynurenine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N)C(=O)O	2676.7	Semi standard non polar	33892256
5-Hydroxykynurenine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N)C(=O)O	2737.6	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N	2883.0	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N)C(=O)O	2989.9	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)C(=O)O	2937.1	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C	2926.0	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	2995.4	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	3051.9	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(CC(=O)C1=CC(O)=CC=C1N)C(=O)O)[Si](C)(C)C(C)(C)C	3048.5	Semi standard non polar	33892256
5-Hydroxykynurenine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2942.7	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C	3118.4	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C	3014.7	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)C(=O)O[Si](C)(C)C(C)(C)C	3226.8	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.4	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3148.0	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3191.1	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3160.5	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3024.8	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3185.8	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	3255.8	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	3050.4	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	3191.8	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	3150.6	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	3053.0	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(N)C(=O)O)=C1	3281.6	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3275.1	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3086.2	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(N)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3283.9	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3222.8	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3084.4	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3097.8	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.9	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3099.8	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3266.5	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3103.4	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3050.1	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.6	Standard polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3186.3	Semi standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3102.1	Standard non polar	33892256
5-Hydroxykynurenine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3176.5	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3358.5	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3181.3	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3099.4	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.6	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3274.5	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3260.7	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3332.0	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3177.1	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3127.9	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3393.4	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3205.4	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3101.2	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3573.1	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3237.5	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3158.5	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3323.6	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3234.0	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3050.6	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.1	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3300.5	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=CC=C(O)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.0	Standard polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.1	Semi standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3317.3	Standard non polar	33892256
5-Hydroxykynurenine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=CC=C(O)C=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3126.3	Standard polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3536.2	Semi standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3320.3	Standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3018.6	Standard polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3728.1	Semi standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3395.5	Standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1C(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3098.9	Standard polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3766.0	Semi standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3415.0	Standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	3064.3	Standard polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3693.6	Semi standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3470.5	Standard non polar	33892256
5-Hydroxykynurenine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC(O)=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3047.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Hydroxykynurenine GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-2900000000-759106525958c7559c0e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Hydroxykynurenine GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9167000000-abb2f436c993df4c1d30	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Hydroxykynurenine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 10V, Positive-QTOF	splash10-056r-0890000000-dfa042db46858117582c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 20V, Positive-QTOF	splash10-03mr-2900000000-c8e51ba13da85857d00b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 40V, Positive-QTOF	splash10-0a4r-5900000000-a8fdd6f4771588adc784	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 10V, Negative-QTOF	splash10-00di-1090000000-1b6f8b69fc5d1440121f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 20V, Negative-QTOF	splash10-05fr-9560000000-3a0c724edce767136c71	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 40V, Negative-QTOF	splash10-0ab9-6900000000-43fed4337f093b9e8e92	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 10V, Positive-QTOF	splash10-056r-0590000000-3491ab58bac06eaf1c8b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 20V, Positive-QTOF	splash10-06vi-1900000000-2eca61562922fc2223ee	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 40V, Positive-QTOF	splash10-0a59-8900000000-b87794b8cc3c797a29c6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 10V, Negative-QTOF	splash10-05fr-0590000000-5ef5be198ab9accfc633	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 20V, Negative-QTOF	splash10-0a4i-0900000000-4c1bf27c3b9ad731646d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Hydroxykynurenine 40V, Negative-QTOF	splash10-05fr-9600000000-824917bfb14bccd67e63	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Tryptophan metabolism	Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Children (1-13 years old)	Both	Enthesitis-related arthritis	27786174	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029180

KNApSAcK ID

Not Available

Chemspider ID

389616

KEGG Compound ID

C05651

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

3-Hydroxykynurenine

METLIN ID

Not Available

PubChem Compound

440745

PDB ID

Not Available

ChEBI ID

2076

Food Biomarker Ontology

Not Available

VMH ID

5HXKYN

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Aromatic-L-amino-acid decarboxylase

General function:: Involved in carboxy-lyase activity
Specific function:: Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine, L-5-hydroxytryptophan to serotonin and L-tryptophan to tryptamine.
Gene Name:: DDC
Uniprot ID:: P20711
Molecular weight:: 53893.755

Reactions

5-Hydroxykynurenamine + Carbon dioxide → 5-Hydroxykynurenine	details

Enzyme Details

2. Kynurenine formamidase

General function:: Involved in hydrolase activity
Specific function:: Catalyzes the hydrolysis of N-formyl-L-kynurenine to L-kynurenine, the second step in the kynurenine pathway of tryptophan degradation. Kynurenine may be further oxidized to nicotinic acid, NAD(H) and NADP(H). Required for elimination of toxic metabolites (By similarity).
Gene Name:: AFMID
Uniprot ID:: Q63HM1
Molecular weight:: 33991.5

Reactions

5-Hydroxy-N-formylkynurenine + Water → 5-Hydroxykynurenine + Formic acid	details

Showing metabocard for 5-Hydroxykynurenine (HMDB0012819)

MOL for HMDB0012819 (5-Hydroxykynurenine)

3D MOL for HMDB0012819 (5-Hydroxykynurenine)

3D SDF for HMDB0012819 (5-Hydroxykynurenine)

3D-SDF for HMDB0012819 (5-Hydroxykynurenine)

PDB for HMDB0012819 (5-Hydroxykynurenine)

3D PDB for HMDB0012819 (5-Hydroxykynurenine)

SMILES for HMDB0012819 (5-Hydroxykynurenine)

INCHI for HMDB0012819 (5-Hydroxykynurenine)

Structure for HMDB0012819 (5-Hydroxykynurenine)

3D Structure for HMDB0012819 (5-Hydroxykynurenine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions