MiMeDB: Showing metabocard for amicoumacin A 2-phosphate (MMDBc0055722)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:03:26 UTC

Update Date

2022-08-12 20:09:27 UTC

Metabolite ID

MMDBc0055722

Metabolite Identification

Common Name

amicoumacin A 2-phosphate

Description

amicoumacin A 2-phosphate belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. Based on a literature review very few articles have been published on amicoumacin A 2-phosphate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222032D          

 39 40  0  0  1  0            999 V2000
   -2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    2.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.3625    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
   -2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  1  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 11 21  1  1  0  0  0
 22 15  2  0  0  0  0
 12 23  1  1  0  0  0
 23 19  2  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 17 26  1  6  0  0  0
 19 27  1  4  0  0  0
 28 20  2  0  0  0  0
 32 14  1  0  0  0  0
 32 20  1  0  0  0  0
 18 33  1  1  0  0  0
 34 29  1  0  0  0  0
 34 30  1  0  0  0  0
 34 31  2  0  0  0  0
 34 33  1  0  0  0  0
 11 35  1  1  0  0  0
 12 36  1  1  0  0  0
 14 37  1  6  0  0  0
 17 38  1  6  0  0  0
 18 39  1  1  0  0  0
M  CHG  1  24  -1
M  END


  Mrv1652306172222032D          

 39 40  0  0  1  0            999 V2000
   -2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    2.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.3625    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
   -2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  1  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 11 21  1  1  0  0  0
 22 15  2  0  0  0  0
 12 23  1  1  0  0  0
 23 19  2  0  0  0  0
 24 13  1  0  0  0  0
 25 15  1  0  0  0  0
 17 26  1  6  0  0  0
 19 27  1  4  0  0  0
 28 20  2  0  0  0  0
 32 14  1  0  0  0  0
 32 20  1  0  0  0  0
 18 33  1  1  0  0  0
 34 29  1  0  0  0  0
 34 30  1  0  0  0  0
 34 31  2  0  0  0  0
 34 33  1  0  0  0  0
 11 35  1  1  0  0  0
 12 36  1  1  0  0  0
 14 37  1  6  0  0  0
 17 38  1  6  0  0  0
 18 39  1  1  0  0  0
M  CHG  1  24  -1
M  END
> <DATABASE_ID>
MMDBc0055722

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@](N)(CC(O)=N)[C@]([H])(O)[C@]([H])(OP(O)(O)=O)C(O)=N[C@@]([H])(CC(C)C)[C@]1([H])CC2=C(C([O-])=CC=C2)C(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C20H30N3O10P/c1-9(2)6-12(14-7-10-4-3-5-13(24)16(10)20(28)32-14)23-19(27)18(33-34(29,30)31)17(26)11(21)8-15(22)25/h3-5,9,11-12,14,17-18,24,26H,6-8,21H2,1-2H3,(H2,22,25)(H,23,27)(H2,29,30,31)/p-1/t11-,12-,14-,17-,18-/m0/s1

> <INCHI_KEY>
HOJHDNFGPGIISV-YKRRISCLSA-M

> <FORMULA>
C20H29N3O10P

> <MOLECULAR_WEIGHT>
502.437

> <EXACT_MASS>
502.159604724

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
45.93705231325421

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-3-[(1S)-1-{[(2S,3S,4S)-4-amino-1,3-dihydroxy-5-(C-hydroxycarbonimidoyl)-2-(phosphonooxy)pentylidene]amino}-3-methylbutyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-8-olate

> <JCHEM_LOGP>
-5.845632583646028

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
0.9122543945403327

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.114807028501283

> <JCHEM_PKA_STRONGEST_BASIC>
12.652930623894493

> <JCHEM_POLAR_SURFACE_AREA>
239.03999999999996

> <JCHEM_REFRACTIVITY>
139.0477

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-[(1S)-1-{[(2S,3S,4S)-4-amino-1,3-dihydroxy-5-(C-hydroxycarbonimidoyl)-2-(phosphonooxy)pentylidene]amino}-3-methylbutyl]-1-oxo-3,4-dihydro-2-benzopyran-8-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -13.337  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -12.003  11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -13.337   9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336  11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -10.669  10.780   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -12.003   8.470   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.334   6.930   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       2.667   9.240   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0      -5.335  10.780   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0     -12.003   6.930   0.000  0.00  0.00           O-1
HETATM   25  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.667  10.780   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.668   8.470   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.105   7.494   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.565   4.826   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.668   5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   34  P   UNK     0      -5.335   6.160   0.000  0.00  0.00           P+0
HETATM   35  H   UNK     0      -1.334  10.010   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -8.002  12.320   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      -6.668  10.010   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -2.667   7.700   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -4.001  10.010   0.000  0.00  0.00           H+0
CONECT    1    9                                                            
CONECT    2    9                                                            
CONECT    3    4    5                                                       
CONECT    4    3   10                                                       
CONECT    5    3   13                                                       
CONECT    6    9   12                                                       
CONECT    7   10   14                                                       
CONECT    8   11   15                                                       
CONECT    9    1    2    6                                                  
CONECT   10    4    7   16                                                  
CONECT   11    8   17   21   35                                             
CONECT   12    6   14   23   36                                             
CONECT   13    5   16   24                                                  
CONECT   14    7   12   32   37                                             
CONECT   15    8   22   25                                                  
CONECT   16   10   13   20                                                  
CONECT   17   11   18   26   38                                             
CONECT   18   17   19   33   39                                             
CONECT   19   18   23   27                                                  
CONECT   20   16   28   32                                                  
CONECT   21   11                                                            
CONECT   22   15                                                            
CONECT   23   12   19                                                       
CONECT   24   13                                                            
CONECT   25   15                                                            
CONECT   26   17                                                            
CONECT   27   19                                                            
CONECT   28   20                                                            
CONECT   29   34                                                            
CONECT   30   34                                                            
CONECT   31   34                                                            
CONECT   32   14   20                                                       
CONECT   33   18   34                                                       
CONECT   34   29   30   31   33                                             
CONECT   35   11                                                            
CONECT   36   12                                                            
CONECT   37   14                                                            
CONECT   38   17                                                            
CONECT   39   18                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   80    0
END

Synonyms

Value	Source
Amicoumacin a 2-phosphoric acid	Generator

Molecular Formula

C₂₀H₂₉N₃O₁₀P

Average Mass

502.437

Monoisotopic Mass

502.159604724

IUPAC Name

(3S)-3-[(1S)-1-{[(2S,3S,4S)-4-amino-1,3-dihydroxy-5-(C-hydroxycarbonimidoyl)-2-(phosphonooxy)pentylidene]amino}-3-methylbutyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-8-olate

Traditional Name

(3S)-3-[(1S)-1-{[(2S,3S,4S)-4-amino-1,3-dihydroxy-5-(C-hydroxycarbonimidoyl)-2-(phosphonooxy)pentylidene]amino}-3-methylbutyl]-1-oxo-3,4-dihydro-2-benzopyran-8-olate

CAS Registry Number

Not Available

SMILES

[H][C@](N)(CC(O)=N)[C@]([H])(O)[C@]([H])(OP(O)(O)=O)C(O)=N[C@@]([H])(CC(C)C)[C@]1([H])CC2=C(C([O-])=CC=C2)C(=O)O1

InChI Identifier

InChI=1S/C20H30N3O10P/c1-9(2)6-12(14-7-10-4-3-5-13(24)16(10)20(28)32-14)23-19(27)18(33-34(29,30)31)17(26)11(21)8-15(22)25/h3-5,9,11-12,14,17-18,24,26H,6-8,21H2,1-2H3,(H2,22,25)(H,23,27)(H2,29,30,31)/p-1/t11-,12-,14-,17-,18-/m0/s1

InChI Key

HOJHDNFGPGIISV-YKRRISCLSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

2-benzopyrans

Direct Parent

2-benzopyrans

Alternative Parents

Substituents

2-benzopyran
Monoalkyl phosphate
Phenoxide
Benzenoid
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Vinylogous acid
Secondary alcohol
Lactone
Carboxylic acid ester
Amino acid or derivatives
1,2-aminoalcohol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Amine
Alcohol
Organic anion
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
logP	-5.8	ChemAxon
pKa (Strongest Acidic)	-1.1	ChemAxon
pKa (Strongest Basic)	12.65	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	239.04 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	139.05 m³·mol⁻¹	ChemAxon
Polarizability	45.94 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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	Firmicutes	1	Human feces

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139036290

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for amicoumacin A 2-phosphate (MMDBc0055722)

MOL for #<Metabolite:0x00007fecf4019aa8>

3D MOL for #<Metabolite:0x00007fecf4019aa8>

3D SDF for #<Metabolite:0x00007fecf4019aa8>

3D-SDF for #<Metabolite:0x00007fecf4019aa8>

PDB for #<Metabolite:0x00007fecf4019aa8>

3D PDB for #<Metabolite:0x00007fecf4019aa8>

SMILES for #<Metabolite:0x00007fecf4019aa8>

INCHI for #<Metabolite:0x00007fecf4019aa8>

Structure for #<Metabolite:0x00007fecf4019aa8>

3D Structure for #<Metabolite:0x00007fecf4019aa8>