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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:47:42 UTC

HMDB ID

HMDB0001422

Secondary Accession Numbers

HMDB01422

Metabolite Identification

Common Name

3-Hydroxy-N6,N6,N6-trimethyl-L-lysine

Description

3-Hydroxy-N6,N6,N6-trimethyl-L-lysine belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine exists in all living organisms, ranging from bacteria to humans. In humans, 3-hydroxy-N6,N6,N6-trimethyl-L-lysine is involved in the carnitine synthesis pathway. 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 3-hydroxy-N6,N6,N6-trimethyl-L-lysine a potential biomarker for the consumption of these foods. 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine.

Structure

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

HMDB0001422
     RDKit          3D
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
 35 34  0  0  0  0  0  0  0  0999 V2000
   -3.1298   -1.3234   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -0.1291    0.0880 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9200    0.9993   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -0.0059    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.2936    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558    0.1018   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -0.0669   -0.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.7042    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    0.3983    1.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    0.6252    0.3583 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8498    0.9242   -0.9082 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986   -0.6588    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -1.1780    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.3749    0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -1.5724   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -1.2150   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981   -2.2118   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    1.9208   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    1.2312   -0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362    0.7538   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230    0.4440    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.6090    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463   -1.0255    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.2993    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804   -1.3543    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191    1.1914   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -0.4422   -1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -1.1664   -0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    0.0365   -1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694    1.7864    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.5938    1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    1.4120    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    0.2336   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    1.9085   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283   -0.9674   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  1
 11 33  1  0
 11 34  1  0
 14 35  1  0
M  CHG  1   2   1
M  END


  Mrv0541 02231219072D          

 14 13  0  0  1  0            999 V2000
   -0.8131    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -0.4008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8131    0.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316   -1.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572   -0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424    0.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496    0.0113    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0782   -0.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  1  11   1
M  END
> <DATABASE_ID>
HMDB0001422

> <DATABASE_NAME>
hmdb

> <SMILES>
C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1

> <INCHI_KEY>
ZRJHLGYVUCPZNH-MQWKRIRWSA-O

> <FORMULA>
C9H21N2O3

> <MOLECULAR_WEIGHT>
205.2746

> <EXACT_MASS>
205.155217548

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
22.745145258107645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

> <ALOGPS_LOGP>
-2.88

> <JCHEM_LOGP>
-7.073700593566166

> <ALOGPS_LOGS>
-2.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.620782668814698

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.198677349941611

> <JCHEM_PKA_STRONGEST_BASIC>
8.993901427845726

> <JCHEM_POLAR_SURFACE_AREA>
83.55000000000001

> <JCHEM_REFRACTIVITY>
65.1539

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001422
     RDKit          3D
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
 35 34  0  0  0  0  0  0  0  0999 V2000
   -3.1298   -1.3234   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -0.1291    0.0880 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9200    0.9993   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -0.0059    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.2936    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558    0.1018   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -0.0669   -0.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.7042    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    0.3983    1.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    0.6252    0.3583 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8498    0.9242   -0.9082 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986   -0.6588    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -1.1780    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.3749    0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -1.5724   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -1.2150   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981   -2.2118   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    1.9208   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    1.2312   -0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362    0.7538   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230    0.4440    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.6090    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463   -1.0255    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.2993    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804   -1.3543    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191    1.1914   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -0.4422   -1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -1.1664   -0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    0.0365   -1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694    1.7864    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.5938    1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    1.4120    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    0.2336   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    1.9085   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283   -0.9674   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  1
 11 33  1  0
 11 34  1  0
 14 35  1  0
M  CHG  1   2   1
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.518   0.021   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.184  -0.748   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.859  -0.748   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.518   1.560   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.151   0.021   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.186   0.021   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -2.859  -2.287   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.485  -0.748   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -5.520  -0.748   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -4.186   1.560   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       3.826   0.021   0.000  0.00  0.00           N+1
HETATM   12  C   UNK     0       5.746  -1.144   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.833   2.054   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.803   1.186   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1                                                            
CONECT    5    2    8                                                       
CONECT    6    3    9   10                                                  
CONECT    7    3                                                            
CONECT    8    5   11                                                       
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    8   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0001422
HETATM    1  C1  UNL     1      -3.130  -1.323  -0.547  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.595  -0.129   0.088  1.00  0.00           N1+
HETATM    3  C2  UNL     1      -2.920   0.999  -0.725  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.222  -0.006   1.392  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.168  -0.294   0.307  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.356   0.102  -0.872  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.125  -0.067  -0.719  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.768   0.704   0.373  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.302   0.398   1.641  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.275   0.625   0.358  1.00  0.00           C  
HETATM   11  N2  UNL     1       3.850   0.924  -0.908  1.00  0.00           N  
HETATM   12  C9  UNL     1       3.799  -0.659   0.850  1.00  0.00           C  
HETATM   13  O2  UNL     1       3.479  -1.178   1.953  1.00  0.00           O  
HETATM   14  O3  UNL     1       4.703  -1.375   0.083  1.00  0.00           O  
HETATM   15  H1  UNL     1      -4.155  -1.572  -0.165  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.193  -1.215  -1.644  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.498  -2.212  -0.301  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.353   1.921  -0.475  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.999   1.231  -0.565  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.836   0.754  -1.821  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.223   0.444   1.320  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.556   0.609   2.064  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.246  -1.026   1.870  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.920   0.299   1.225  1.00  0.00           H  
HETATM   25  H11 UNL     1      -0.980  -1.354   0.559  1.00  0.00           H  
HETATM   26  H12 UNL     1      -0.519   1.191  -1.124  1.00  0.00           H  
HETATM   27  H13 UNL     1      -0.685  -0.442  -1.786  1.00  0.00           H  
HETATM   28  H14 UNL     1       1.268  -1.166  -0.469  1.00  0.00           H  
HETATM   29  H15 UNL     1       1.656   0.037  -1.696  1.00  0.00           H  
HETATM   30  H16 UNL     1       1.469   1.786   0.212  1.00  0.00           H  
HETATM   31  H17 UNL     1       1.234  -0.594   1.751  1.00  0.00           H  
HETATM   32  H18 UNL     1       3.642   1.412   1.081  1.00  0.00           H  
HETATM   33  H19 UNL     1       3.698   0.234  -1.647  1.00  0.00           H  
HETATM   34  H20 UNL     1       3.859   1.909  -1.180  1.00  0.00           H  
HETATM   35  H21 UNL     1       5.428  -0.967  -0.481  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    4    5
CONECT    3   18   19   20
CONECT    4   21   22   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   10   30
CONECT    9   31
CONECT   10   11   12   32
CONECT   11   33   34
CONECT   12   13   13   14
CONECT   14   35
END

HMDB0001422
     RDKit          3D
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
 35 34  0  0  0  0  0  0  0  0999 V2000
   -3.1298   -1.3234   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5954   -0.1291    0.0880 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9200    0.9993   -0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2218   -0.0059    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.2936    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558    0.1018   -0.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -0.0669   -0.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.7042    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    0.3983    1.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747    0.6252    0.3583 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8498    0.9242   -0.9082 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7986   -0.6588    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793   -1.1780    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031   -1.3749    0.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554   -1.5724   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -1.2150   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981   -2.2118   -0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3527    1.9208   -0.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    1.2312   -0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362    0.7538   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230    0.4440    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    0.6090    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463   -1.0255    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.2993    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804   -1.3543    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5191    1.1914   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -0.4422   -1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680   -1.1664   -0.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6555    0.0365   -1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694    1.7864    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -0.5938    1.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    1.4120    1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984    0.2336   -1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    1.9085   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283   -0.9674   -0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  1
 11 33  1  0
 11 34  1  0
 14 35  1  0
M  CHG  1   2   1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3-Hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine	HMDB
3-Hydroxy-N(6),N(6),N(6)-trimethyllysine	HMDB
3-Hydroxy-N6,N6,N6-trimethyl-L-lysin-N6-ium	HMDB

Chemical Formula

C₉H₂₁N₂O₃

Average Molecular Weight

205.2746

Monoisotopic Molecular Weight

205.155217548

IUPAC Name

[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

Traditional Name

[(5S)-5-amino-5-carboxy-4-hydroxypentyl]trimethylazanium

CAS Registry Number

Not Available

SMILES

C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O

InChI Identifier

InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1/t7?,8-/m0/s1

InChI Key

ZRJHLGYVUCPZNH-MQWKRIRWSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Medium-chain hydroxy acid
Medium-chain fatty acid
Amino fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Hydroxy acid
Fatty acid
Fatty acyl
Tetraalkylammonium salt
Quaternary ammonium salt
Amino acid
Secondary alcohol
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Alcohol
Organic salt
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alpha-amino-acid cation (CHEBI:57515 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Organelle

Mitochondria

Mitochondria (HMDB: HMDB0001422)

Mitochondria (HMDB: HMDB0001422)

Source

Endogenous

Endogenous (HMDB: HMDB0001422)

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

Carnitine Synthesis (HMDB: HMDB0001422)

Carnitine Synthesis (HMDB: HMDB0001422)

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	1.83 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-7.1	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	2.2	ChemAxon
pKa (Strongest Basic)	8.99	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	83.55 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	65.15 m³·mol⁻¹	ChemAxon
Polarizability	22.75 Å³	ChemAxon
Number of Rings	0	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]+	149.047	31661259
DarkChem	[M-H]-	144.474	31661259
AllCCS	[M+H]+	146.847	32859911
AllCCS	[M-H]-	155.494	32859911
DeepCCS	[M+H]+	145.436	30932474
DeepCCS	[M-H]-	143.04	30932474
DeepCCS	[M-2H]-	177.3	30932474
DeepCCS	[M+Na]+	151.713	30932474
AllCCS	[M+H]+	146.8	32859911
AllCCS	[M+H-H2O]+	143.4	32859911
AllCCS	[M+NH4]+	150.0	32859911
AllCCS	[M+Na]+	150.9	32859911
AllCCS	[M-H]-	155.5	32859911
AllCCS	[M+Na-2H]-	156.7	32859911
AllCCS	[M+HCOO]-	158.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O	2512.8	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O	1531.6	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O	1727.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N)C(=O)O	1699.0	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TMS,isomer #2	C[N+](C)(C)CCCC(O)[C@H](N)C(=O)O[Si](C)(C)C	1636.8	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TMS,isomer #3	C[N+](C)(C)CCCC(O)[C@H](N[Si](C)(C)C)C(=O)O	1759.9	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N)C(=O)O[Si](C)(C)C	1682.3	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TMS,isomer #2	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N[Si](C)(C)C)C(=O)O	1754.6	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TMS,isomer #3	C[N+](C)(C)CCCC(O)[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1735.4	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TMS,isomer #4	C[N+](C)(C)CCCC(O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1922.2	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1740.3	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1839.9	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1937.5	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #2	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1908.5	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #2	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1891.2	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #2	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2053.5	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #3	C[N+](C)(C)CCCC(O)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1877.5	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #3	C[N+](C)(C)CCCC(O)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1898.0	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TMS,isomer #3	C[N+](C)(C)CCCC(O)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2021.2	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1883.3	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1969.1	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TMS,isomer #1	C[N+](C)(C)CCCC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1904.9	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CCC[N+](C)(C)C)[C@H](N)C(=O)O	1919.0	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C(O)CCC[N+](C)(C)C	1882.5	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)C(O)CCC[N+](C)(C)C	1991.6	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C	2123.7	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C	2177.8	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C(O)CCC[N+](C)(C)C	2184.7	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N([C@H](C(=O)O)C(O)CCC[N+](C)(C)C)[Si](C)(C)C(C)(C)C	2325.0	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C	2397.6	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C	2421.1	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C	2222.7	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CCC[N+](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2555.0	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CCC[N+](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2477.4	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CCC[N+](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2278.3	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(O)CCC[N+](C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2553.2	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(O)CCC[N+](C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2485.9	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(O)CCC[N+](C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2253.1	Standard polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2796.3	Semi standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2694.0	Standard non polar	33892256
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](C(CCC[N+](C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2267.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-05dl-9700000000-76e306d0df20cdf2383d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine GC-MS (2 TMS) - 70eV, Positive	splash10-0ff0-9851000000-e9d6504a39fd334e4b9c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 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 - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 10V, Positive-QTOF	splash10-052r-0910000000-120b9ce241c6f49b2ac9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 20V, Positive-QTOF	splash10-0006-0900000000-27173a0a79897e2f7ac9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 40V, Positive-QTOF	splash10-0w2l-9600000000-912689a68e2339f3eb51	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 10V, Positive-QTOF	splash10-0a4i-1690000000-6e5d0167d15f3e441077	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 20V, Positive-QTOF	splash10-0w29-6900000000-d1d1d8c778e366ca8676	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 40V, Positive-QTOF	splash10-08fr-9000000000-a68c2a8563e29a767501	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Mitochondria

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Carnitine Synthesis		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

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

FDB022613

KNApSAcK ID

Not Available

Chemspider ID

388565

KEGG Compound ID

C01259

BioCyc ID

Not Available

BiGG ID

37211

Wikipedia Link

Not Available

METLIN ID

6234

PubChem Compound

439460

PDB ID

Not Available

ChEBI ID

15786

Food Biomarker Ontology

Not Available

VMH ID

3HTMELYS

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

van Vlies N, Wanders RJ, Vaz FM: Measurement of carnitine biosynthesis enzyme activities by tandem mass spectrometry: differences between the mouse and the rat. Anal Biochem. 2006 Jul 1;354(1):132-9. Epub 2006 May 2. [PubMed:16707092 ]

Enzymes

Enzyme Details

1. Trimethyllysine dioxygenase, mitochondrial

General function:: Involved in oxidation reduction
Specific function:: Converts trimethyllysine (TML) into hydroxytrimethyllysine (HTML).
Gene Name:: TMLHE
Uniprot ID:: Q9NVH6
Molecular weight:: 44048.895

Reactions

N6,N6,N6-Trimethyl-L-lysine + Oxoglutaric acid + Oxygen → 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine + Succinic acid + Carbon dioxide	details

Showing metabocard for 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine (HMDB0001422)

MOL for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

3D MOL for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

3D SDF for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

3D-SDF for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

PDB for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

3D PDB for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

SMILES for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

INCHI for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

Structure for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

3D Structure for HMDB0001422 (3-Hydroxy-N6,N6,N6-trimethyl-L-lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions