MiMeDB: Showing metabocard for Amicoumacin B (MMDBc0011360)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 03:15:01 UTC

Update Date

2022-08-31 06:32:56 UTC

Metabolite ID

MMDBc0011360

Metabolite Identification

Common Name

Amicoumacin B

Description

2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Based on a literature review very few articles have been published on 2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152105152D          

 36 36  0  0  1  0            999 V2000
    0.0000   -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  0  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
   -1.4289   -3.3000    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   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  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
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  1  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
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    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
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  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
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   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
   -3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    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
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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
  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  0  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
 21 11  1  0  0  0  0
 12 22  1  6  0  0  0
 22 19  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 17  1  0  0  0  0
 18 28  1  1  0  0  0
 19 29  1  4  0  0  0
 30 20  2  0  0  0  0
 31 20  1  0  0  0  0
 32 11  1  0  0  0  0
 12 33  1  6  0  0  0
 34 14  1  0  0  0  0
 35 17  1  0  0  0  0
 18 36  1  1  0  0  0
M  END


  Mrv1652305152105152D          

 36 36  0  0  1  0            999 V2000
    0.0000   -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  0  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
   -1.4289   -3.3000    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   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  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
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  1  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
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    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
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  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
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 N   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
   -3.5724   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    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
    3.5724   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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
  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  0  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
 21 11  1  0  0  0  0
 12 22  1  6  0  0  0
 22 19  2  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  2  0  0  0  0
 26 15  1  0  0  0  0
 27 17  1  0  0  0  0
 18 28  1  1  0  0  0
 19 29  1  4  0  0  0
 30 20  2  0  0  0  0
 31 20  1  0  0  0  0
 32 11  1  0  0  0  0
 12 33  1  6  0  0  0
 34 14  1  0  0  0  0
 35 17  1  0  0  0  0
 18 36  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0011360

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C(N)(CC(O)=O)C([H])(O)[C@]([H])(O)C(O)=N[C@@]([H])(CC(C)C)C([H])(O)CC1=C(C(O)=O)C(O)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H30N2O9/c1-9(2)6-12(22-19(29)18(28)17(27)11(21)8-15(25)26)14(24)7-10-4-3-5-13(23)16(10)20(30)31/h3-5,9,11-12,14,17-18,23-24,27-28H,6-8,21H2,1-2H3,(H,22,29)(H,25,26)(H,30,31)/t11?,12-,14?,17?,18-/m0/s1

> <INCHI_KEY>
ZVMJOYORHWNPCZ-MLXNOORUSA-N

> <FORMULA>
C20H30N2O9

> <MOLECULAR_WEIGHT>
442.465

> <EXACT_MASS>
442.195130554

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
44.69122646530705

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid

> <ALOGPS_LOGP>
-2.02

> <JCHEM_LOGP>
-2.1920913277861005

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.368075672307529

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6586599708565686

> <JCHEM_PKA_STRONGEST_BASIC>
12.889592093417075

> <JCHEM_POLAR_SURFACE_AREA>
214.12999999999997

> <JCHEM_REFRACTIVITY>
108.35789999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic 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       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335  -6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -8.470   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -6.930   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       5.335  -6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       6.668  -8.470   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       1.334  -6.930   0.000  0.00  0.00           N+0
HETATM   23  O   UNK     0      -6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      10.669  -6.160   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       9.336  -8.470   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       4.001  -8.470   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335  -1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   32  H   UNK     0       6.668  -5.390   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -1.334  -5.390   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       1.334  -5.390   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       5.335  -7.700   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       4.001  -5.390   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   32                                             
CONECT   12    6   14   22   33                                             
CONECT   13    5   16   23                                                  
CONECT   14    7   12   24   34                                             
CONECT   15    8   25   26                                                  
CONECT   16   10   13   20                                                  
CONECT   17   11   18   27   35                                             
CONECT   18   17   19   28   36                                             
CONECT   19   18   22   29                                                  
CONECT   20   16   30   31                                                  
CONECT   21   11                                                            
CONECT   22   12   19                                                       
CONECT   23   13                                                            
CONECT   24   14                                                            
CONECT   25   15                                                            
CONECT   26   15                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   20                                                            
CONECT   32   11                                                            
CONECT   33   12                                                            
CONECT   34   14                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   72    0
END

Synonyms

Value	Source
2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoate	Generator

Molecular Formula

C₂₀H₃₀N₂O₉

Average Mass

442.465

Monoisotopic Mass

442.195130554

IUPAC Name

2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid

Traditional Name

2-[(3S)-3-{[(2S)-4-amino-5-carboxy-1,2,3-trihydroxypentylidene]amino}-2-hydroxy-5-methylhexyl]-6-hydroxybenzoic acid

CAS Registry Number

Not Available

SMILES

[H]C(N)(CC(O)=O)C([H])(O)[C@]([H])(O)C(O)=N[C@@]([H])(CC(C)C)C([H])(O)CC1=C(C(O)=O)C(O)=CC=C1

InChI Identifier

InChI=1S/C20H30N2O9/c1-9(2)6-12(22-19(29)18(28)17(27)11(21)8-15(25)26)14(24)7-10-4-3-5-13(23)16(10)20(30)31/h3-5,9,11-12,14,17-18,23-24,27-28H,6-8,21H2,1-2H3,(H,22,29)(H,25,26)(H,30,31)/t11?,12-,14?,17?,18-/m0/s1

InChI Key

ZVMJOYORHWNPCZ-MLXNOORUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta 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

Beta amino acids and derivatives

Alternative Parents

Substituents

Beta amino acid or derivatives
Hydroxybenzoic acid
Salicylic acid or derivatives
Salicylic acid
Benzoic acid or derivatives
Benzoic acid
Medium-chain hydroxy acid
Benzoyl
Medium-chain fatty acid
Amino fatty acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Branched fatty acid
Hydroxy fatty acid
Phenol
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
Monosaccharide
N-acyl-amine
Benzenoid
1,3-aminoalcohol
Vinylogous acid
Secondary alcohol
Secondary carboxylic acid amide
1,2-aminoalcohol
Amino acid
Carboxamide group
Carboxylic acid
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organopnictogen compound
Primary amine
Organonitrogen compound
Primary aliphatic amine
Alcohol
Amine
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.72 g/L	ALOGPS
logP	-2	ALOGPS
logP	-2.2	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.66	ChemAxon
pKa (Strongest Basic)	12.89	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	214.13 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	108.36 m³·mol⁻¹	ChemAxon
Polarizability	44.69 Å³	ChemAxon
Number of Rings	1	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

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	Firmicutes	1		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

78445196

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139586135

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 Amicoumacin B (MMDBc0011360)

MOL for #<Metabolite:0x00007fed0809e050>

3D MOL for #<Metabolite:0x00007fed0809e050>

3D SDF for #<Metabolite:0x00007fed0809e050>

3D-SDF for #<Metabolite:0x00007fed0809e050>

PDB for #<Metabolite:0x00007fed0809e050>

3D PDB for #<Metabolite:0x00007fed0809e050>

SMILES for #<Metabolite:0x00007fed0809e050>

INCHI for #<Metabolite:0x00007fed0809e050>

Structure for #<Metabolite:0x00007fed0809e050>

3D Structure for #<Metabolite:0x00007fed0809e050>