MiMeDB: Showing metabocard for Tetrahydro-limipterin (MMDBc0010614)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 02:43:56 UTC

Update Date

2022-08-31 06:32:00 UTC

Metabolite ID

MMDBc0010614

Metabolite Identification

Common Name

Tetrahydro-limipterin

Description

Tetrahydro-limipterin belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. Based on a literature review very few articles have been published on Tetrahydro-limipterin.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152104432D          

 39 41  0  0  1  0            999 V2000
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  2  0  0  0  0
 20  9  1  4  0  0  0
 21  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 23 17  1  0  0  0  0
 24  4  1  0  0  0  0
 25  6  1  0  0  0  0
 11 26  1  1  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 15  1  0  0  0  0
 30  5  1  0  0  0  0
 30 16  1  0  0  0  0
 31  8  1  0  0  0  0
 31 16  1  0  0  0  0
  5 32  1  6  0  0  0
 33  7  1  0  0  0  0
 34  8  1  0  0  0  0
 35  9  1  0  0  0  0
 11 36  1  6  0  0  0
 37 12  1  0  0  0  0
 38 13  1  0  0  0  0
 39 16  1  0  0  0  0
M  END


  Mrv1652305152104432D          

 39 41  0  0  1  0            999 V2000
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20  6  2  0  0  0  0
 20  9  1  4  0  0  0
 21  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 23 17  1  0  0  0  0
 24  4  1  0  0  0  0
 25  6  1  0  0  0  0
 11 26  1  1  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 15  1  0  0  0  0
 30  5  1  0  0  0  0
 30 16  1  0  0  0  0
 31  8  1  0  0  0  0
 31 16  1  0  0  0  0
  5 32  1  6  0  0  0
 33  7  1  0  0  0  0
 34  8  1  0  0  0  0
 35  9  1  0  0  0  0
 11 36  1  6  0  0  0
 37 12  1  0  0  0  0
 38 13  1  0  0  0  0
 39 16  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0010614

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(OC1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])N=C(C)O)[C@]([H])(O)C1([H])CNC2=C(N1)C(O)=NC(=N)N2

> <INCHI_IDENTIFIER>
InChI=1S/C17H28N6O8/c1-5(11(26)7-3-19-14-10(21-7)15(29)23-17(18)22-14)30-16-9(20-6(2)25)13(28)12(27)8(4-24)31-16/h5,7-9,11-13,16,21,24,26-28H,3-4H2,1-2H3,(H,20,25)(H4,18,19,22,23,29)/t5-,7?,8?,9?,11-,12?,13?,16?/m0/s1

> <INCHI_KEY>
QWYAJQBOCWNVLL-GMQDJYRHSA-N

> <FORMULA>
C17H28N6O8

> <MOLECULAR_WEIGHT>
444.445

> <EXACT_MASS>
444.196861886

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
43.194681888910345

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(4,5-dihydroxy-2-{[(1R,2S)-1-hydroxy-1-(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid

> <ALOGPS_LOGP>
-1.88

> <JCHEM_LOGP>
-3.718915793127078

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
7.534202222153539

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.3969609920696815

> <JCHEM_PKA_STRONGEST_BASIC>
6.0213240314501695

> <JCHEM_POLAR_SURFACE_AREA>
224.49999999999994

> <JCHEM_REFRACTIVITY>
123.4842

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(4,5-dihydroxy-2-{[(1R,2S)-1-hydroxy-1-(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      -6.668   3.850   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0      -0.000   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.002   6.160   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   32  H   UNK     0      -1.334   0.770   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      -2.667   7.700   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -6.668   5.390   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -4.001   0.770   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      -5.335   7.700   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -4.001   5.390   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -5.335   3.080   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2    6                                                            
CONECT    3    7   19                                                       
CONECT    4    8   24                                                       
CONECT    5    1   11   30   32                                             
CONECT    6    2   20   25                                                  
CONECT    7    3   11   21   33                                             
CONECT    8    4   12   31   34                                             
CONECT    9   13   16   20   35                                             
CONECT   10   14   15   21                                                  
CONECT   11    5    7   26   36                                             
CONECT   12    8   13   27   37                                             
CONECT   13    9   12   28   38                                             
CONECT   14   10   19   22                                                  
CONECT   15   10   23   29                                                  
CONECT   16    9   30   31   39                                             
CONECT   17   18   22   23                                                  
CONECT   18   17                                                            
CONECT   19    3   14                                                       
CONECT   20    6    9                                                       
CONECT   21    7   10                                                       
CONECT   22   14   17                                                       
CONECT   23   15   17                                                       
CONECT   24    4                                                            
CONECT   25    6                                                            
CONECT   26   11                                                            
CONECT   27   12                                                            
CONECT   28   13                                                            
CONECT   29   15                                                            
CONECT   30    5   16                                                       
CONECT   31    8   16                                                       
CONECT   32    5                                                            
CONECT   33    7                                                            
CONECT   34    8                                                            
CONECT   35    9                                                            
CONECT   36   11                                                            
CONECT   37   12                                                            
CONECT   38   13                                                            
CONECT   39   16                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

Synonyms

Not Available

Molecular Formula

C₁₇H₂₈N₆O₈

Average Mass

444.445

Monoisotopic Mass

444.196861886

IUPAC Name

N-(4,5-dihydroxy-2-{[(1R,2S)-1-hydroxy-1-(4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid

Traditional Name

N-(4,5-dihydroxy-2-{[(1R,2S)-1-hydroxy-1-(4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanimidic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(OC1([H])OC([H])(CO)C([H])(O)C([H])(O)C1([H])N=C(C)O)[C@]([H])(O)C1([H])CNC2=C(N1)C(O)=NC(=N)N2

InChI Identifier

InChI=1S/C17H28N6O8/c1-5(11(26)7-3-19-14-10(21-7)15(29)23-17(18)22-14)30-16-9(20-6(2)25)13(28)12(27)8(4-24)31-16/h5,7-9,11-13,16,21,24,26-28H,3-4H2,1-2H3,(H,20,25)(H4,18,19,22,23,29)/t5-,7?,8?,9?,11-,12?,13?,16?/m0/s1

InChI Key

QWYAJQBOCWNVLL-GMQDJYRHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
N-acyl-alpha-hexosamine
Glycosyl compound
O-glycosyl compound
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Monosaccharide
Oxane
Imidolactam
Pyrimidine
Heteroaromatic compound
Acetamide
Vinylogous amide
1,2-aminoalcohol
Amino acid or derivatives
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Secondary amine
Acetal
Oxacycle
Azacycle
Carboxylic acid derivative
Organic nitrogen compound
Amine
Organopnictogen compound
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Primary amine
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.92 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3.7	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	5.4	ChemAxon
pKa (Strongest Basic)	6.02	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	224.5 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	123.48 m³·mol⁻¹	ChemAxon
Polarizability	43.19 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Chlorobi	1	Human	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78445523

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139585910

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Tetrahydro-limipterin (MMDBc0010614)

MOL for #<Metabolite:0x00007fece3707b28>

3D MOL for #<Metabolite:0x00007fece3707b28>

3D SDF for #<Metabolite:0x00007fece3707b28>

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PDB for #<Metabolite:0x00007fece3707b28>

3D PDB for #<Metabolite:0x00007fece3707b28>

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Structure for #<Metabolite:0x00007fece3707b28>

3D Structure for #<Metabolite:0x00007fece3707b28>