MiMeDB: Showing metabocard for Malyngamide 4 (MMDBc0018135)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 08:23:19 UTC

Update Date

2022-08-31 06:43:26 UTC

Metabolite ID

MMDBc0018135

Metabolite Identification

Common Name

Malyngamide 4

Description

Malyngamide 4 belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Based on a literature review a significant number of articles have been published on Malyngamide 4.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152110232D          

 41 41  0  0  1  0            999 V2000
    6.5285   11.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    7.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4695   11.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1404   10.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387   11.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8787   11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6889   11.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290   10.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2796    9.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0391   11.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7396   10.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0898    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6254    9.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   10.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9294    9.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6299    9.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4695   10.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9031    9.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1404    8.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2206    9.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0603    7.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7902    8.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3303    8.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3893   10.5735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4105    9.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4400    9.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6509   10.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4907    9.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2501    7.1435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9801    8.5466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3008   10.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    9.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2522   11.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9506   10.5735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6594   11.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    9.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0096    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0096   10.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7607    8.5466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6004    6.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1193    9.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 23 19  1  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 20  1  0  0  0  0
 21 29  1  4  0  0  0
 30  2  1  0  0  0  0
 30 22  1  0  0  0  0
 30 26  1  0  0  0  0
 31 18  1  0  0  0  0
 31 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 26  2  0  0  0  0
 33 27  2  0  0  0  0
 34 28  2  0  0  0  0
 35  3  1  0  0  0  0
 24 35  1  1  0  0  0
 36  4  1  0  0  0  0
 36 25  1  0  0  0  0
 37  9  1  0  0  0  0
 38 11  1  0  0  0  0
 20 39  1  4  0  0  0
 40 21  1  0  0  0  0
 24 41  1  1  0  0  0
M  END


  Mrv1652305152110232D          

 41 41  0  0  1  0            999 V2000
    6.5285   11.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    7.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4695   11.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1404   10.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3387   11.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8787   11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6889   11.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290   10.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2796    9.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0391   11.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7396   10.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0898    9.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6254    9.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   10.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9294    9.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6299    9.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4695   10.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9031    9.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1404    8.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2206    9.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0603    7.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7902    8.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3303    8.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3893   10.5735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4105    9.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4400    9.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6509   10.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4907    9.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2501    7.1435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.9801    8.5466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3008   10.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7100    9.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2522   11.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9506   10.5735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6594   11.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    9.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0096    8.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0096   10.8853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7607    8.5466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6004    6.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1193    9.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 23 19  1  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  2  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 20  1  0  0  0  0
 21 29  1  4  0  0  0
 30  2  1  0  0  0  0
 30 22  1  0  0  0  0
 30 26  1  0  0  0  0
 31 18  1  0  0  0  0
 31 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 26  2  0  0  0  0
 33 27  2  0  0  0  0
 34 28  2  0  0  0  0
 35  3  1  0  0  0  0
 24 35  1  1  0  0  0
 36  4  1  0  0  0  0
 36 25  1  0  0  0  0
 37  9  1  0  0  0  0
 38 11  1  0  0  0  0
 20 39  1  4  0  0  0
 40 21  1  0  0  0  0
 24 41  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0018135

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C(Cl)=C(CN(C)C(=O)CC\C([H])=C(/[H])C[C@]([H])(CCCCCCC)OC)CC(OC)=C([H])C(=O)N1CC=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H43ClN2O5/c1-5-6-7-8-10-14-24(35-3)15-11-9-12-16-26(32)30(2)22-23(21-29)19-25(36-4)20-28(34)31-18-13-17-27(31)33/h9,11,13,17,20-21,24H,5-8,10,12,14-16,18-19,22H2,1-4H3/b11-9+,23-21?,25-20?/t24-/m0/s1

> <INCHI_KEY>
TZHJOLWRRFAQDY-MJFOTPMHSA-N

> <FORMULA>
C28H43ClN2O5

> <MOLECULAR_WEIGHT>
523.11

> <EXACT_MASS>
522.2860502

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
59.10465891468749

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4E,7S)-N-[2-(chloromethylidene)-4-methoxy-6-oxo-6-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)hex-4-en-1-yl]-7-methoxy-N-methyltetradec-4-enamide

> <ALOGPS_LOGP>
5.88

> <JCHEM_LOGP>
4.277586328666667

> <ALOGPS_LOGS>
-5.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.064436677799323

> <JCHEM_PKA_STRONGEST_BASIC>
-0.72699266450736

> <JCHEM_POLAR_SURFACE_AREA>
76.15

> <JCHEM_REFRACTIVITY>
148.75939999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.81e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4E,7S)-N-[2-(chloromethylidene)-4-methoxy-6-oxo-6-(2-oxo-5H-pyrrol-1-yl)hex-4-en-1-yl]-7-methoxy-N-methyltetradec-4-enamide

> <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      12.187  22.065   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      29.325  14.499   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.276  21.483   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      33.862  19.446   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.699  22.356   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.707  21.192   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.219  21.483   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.227  20.319   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.789  17.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.740  20.610   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      23.780  18.864   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.301  17.991   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      40.367  18.556   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.748  19.446   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      22.268  18.573   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.309  16.827   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      40.076  20.068   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      39.019  17.812   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.862  15.372   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      35.878  17.118   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      31.846  13.625   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.342  16.245   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      32.350  15.081   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.260  19.737   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      34.366  16.827   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.821  17.118   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      38.548  20.259   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      36.383  18.573   0.000  0.00  0.00           C+0
HETATM   29 Cl   UNK     0      30.334  13.334   0.000  0.00  0.00          Cl+0
HETATM   30  N   UNK     0      29.829  15.954   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0      37.895  18.864   0.000  0.00  0.00           N+0
HETATM   32  O   UNK     0      29.325  18.573   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      37.804  21.607   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      35.374  19.737   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      21.764  21.192   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      33.358  17.991   0.000  0.00  0.00           O+0
HETATM   37  H   UNK     0      24.285  16.245   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      24.285  20.319   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      36.887  15.954   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      32.854  12.461   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      20.756  18.282   0.000  0.00  0.00           H+0
CONECT    1    5                                                            
CONECT    2   30                                                            
CONECT    3   35                                                            
CONECT    4   36                                                            
CONECT    5    1    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7   10                                                       
CONECT    9   11   12   37                                                  
CONECT   10    8   14                                                       
CONECT   11    9   15   38                                                  
CONECT   12    9   16                                                       
CONECT   13   17   18                                                       
CONECT   14   10   24                                                       
CONECT   15   11   24                                                       
CONECT   16   12   26                                                       
CONECT   17   13   27                                                       
CONECT   18   13   31                                                       
CONECT   19   23   25                                                       
CONECT   20   25   28   39                                                  
CONECT   21   23   29   40                                                  
CONECT   22   23   30                                                       
CONECT   23   19   21   22                                                  
CONECT   24   14   15   35   41                                             
CONECT   25   19   20   36                                                  
CONECT   26   16   30   32                                                  
CONECT   27   17   31   33                                                  
CONECT   28   20   31   34                                                  
CONECT   29   21                                                            
CONECT   30    2   22   26                                                  
CONECT   31   18   27   28                                                  
CONECT   32   26                                                            
CONECT   33   27                                                            
CONECT   34   28                                                            
CONECT   35    3   24                                                       
CONECT   36    4   25                                                       
CONECT   37    9                                                            
CONECT   38   11                                                            
CONECT   39   20                                                            
CONECT   40   21                                                            
CONECT   41   24                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   82    0
END

Synonyms

Not Available

Molecular Formula

C₂₈H₄₃ClN₂O₅

Average Mass

523.11

Monoisotopic Mass

522.2860502

IUPAC Name

(4E,7S)-N-[2-(chloromethylidene)-4-methoxy-6-oxo-6-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)hex-4-en-1-yl]-7-methoxy-N-methyltetradec-4-enamide

Traditional Name

(4E,7S)-N-[2-(chloromethylidene)-4-methoxy-6-oxo-6-(2-oxo-5H-pyrrol-1-yl)hex-4-en-1-yl]-7-methoxy-N-methyltetradec-4-enamide

CAS Registry Number

Not Available

SMILES

[H]C(Cl)=C(CN(C)C(=O)CC\C([H])=C(/[H])C[C@]([H])(CCCCCCC)OC)CC(OC)=C([H])C(=O)N1CC=CC1=O

InChI Identifier

InChI=1S/C28H43ClN2O5/c1-5-6-7-8-10-14-24(35-3)15-11-9-12-16-26(32)30(2)22-23(21-29)19-25(36-4)20-28(34)31-18-13-17-27(31)33/h9,11,13,17,20-21,24H,5-8,10,12,14-16,18-19,22H2,1-4H3/b11-9+,23-21?,25-20?/t24-/m0/s1

InChI Key

TZHJOLWRRFAQDY-MJFOTPMHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

Carboxylic acid imide, n-substituted
N-acyl-amine
Vinylogous ester
Tertiary carboxylic acid amide
Pyrroline
Dicarboximide
Carboxylic acid imide
Carboxamide group
Azacycle
Chloroalkene
Haloalkene
Organoheterocyclic compound
Vinyl halide
Vinyl chloride
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00058 g/L	ALOGPS
logP	5.88	ALOGPS
logP	4.28	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	10.06	ChemAxon
pKa (Strongest Basic)	-0.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	76.15 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	148.76 m³·mol⁻¹	ChemAxon
Polarizability	59.1 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
nah	1		Metabolic reconstruction
Bacteria	Cyanobacteria	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

139588111

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 Malyngamide 4 (MMDBc0018135)

MOL for #<Metabolite:0x00007fecf8585808>

3D MOL for #<Metabolite:0x00007fecf8585808>

3D SDF for #<Metabolite:0x00007fecf8585808>

3D-SDF for #<Metabolite:0x00007fecf8585808>

PDB for #<Metabolite:0x00007fecf8585808>

3D PDB for #<Metabolite:0x00007fecf8585808>

SMILES for #<Metabolite:0x00007fecf8585808>

INCHI for #<Metabolite:0x00007fecf8585808>

Structure for #<Metabolite:0x00007fecf8585808>

3D Structure for #<Metabolite:0x00007fecf8585808>