MiMeDB: Showing metabocard for Ericamycin (MMDBc0012047)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 03:41:21 UTC

Update Date

2022-08-31 06:33:55 UTC

Metabolite ID

MMDBc0012047

Metabolite Identification

Common Name

Ericamycin

Description

Ericamycin belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. Based on a literature review very few articles have been published on Ericamycin.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152105412D          

 39 44  0  0  1  0            999 V2000
    3.3622    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8690    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -3.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7216   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5743   -1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960   -1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1817    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0495    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8043   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4104    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1321   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6404    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848   -0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269   -1.9533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5908    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9517    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6073   -2.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7382    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5577    1.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -1.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569   -1.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9186   -2.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2795    0.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464    1.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2795   -2.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -2.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7878   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21  9  2  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 16  2  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 26 20  2  0  0  0  0
 27 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 16  1  0  0  0  0
 29 10  1  0  0  0  0
 29 28  2  0  0  0  0
 30 21  1  0  0  0  0
 31 22  2  0  0  0  0
 32 23  2  0  0  0  0
 24 33  1  6  0  0  0
 34 25  1  0  0  0  0
 35 26  1  0  0  0  0
 36 28  1  0  0  0  0
 37  3  1  0  0  0  0
 27 37  1  1  0  0  0
 24 38  1  1  0  0  0
 27 39  1  6  0  0  0
M  END


  Mrv1652305152105412D          

 39 44  0  0  1  0            999 V2000
    3.3622    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8690    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -3.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3291    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7216   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5743   -1.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960   -1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1817    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0495    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9021   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8209    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547   -1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8043   -0.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1156   -1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4104    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2630   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4434   -0.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4930   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1321   -0.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6404    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848   -0.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269   -1.9533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5908    0.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9517    0.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6073   -2.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7382    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5577    1.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457   -1.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569   -1.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9186   -2.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2795    0.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2464    1.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2795   -2.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -2.7104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7878   -2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  9  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
 21  9  2  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 22 20  1  0  0  0  0
 23 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  1  0  0  0  0
 25 16  2  0  0  0  0
 25 17  1  0  0  0  0
 26 18  1  0  0  0  0
 26 20  2  0  0  0  0
 27 15  1  0  0  0  0
 27 24  1  0  0  0  0
 28 16  1  0  0  0  0
 29 10  1  0  0  0  0
 29 28  2  0  0  0  0
 30 21  1  0  0  0  0
 31 22  2  0  0  0  0
 32 23  2  0  0  0  0
 24 33  1  6  0  0  0
 34 25  1  0  0  0  0
 35 26  1  0  0  0  0
 36 28  1  0  0  0  0
 37  3  1  0  0  0  0
 27 37  1  1  0  0  0
 24 38  1  1  0  0  0
 27 39  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0012047

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(O)C2=C(C(O)=C3C(O)=NC(C)=CC3=C2)C2=C(C=C3C(=O)C4=C(C=CC(C)=C4O)C(=O)C3=C2O)[C@]1([H])OC

> <INCHI_IDENTIFIER>
InChI=1S/C28H21NO8/c1-9-4-5-12-19(21(9)30)23(32)14-8-15-18(26(35)20(14)22(12)31)17-13(24(33)27(15)37-3)7-11-6-10(2)29-28(36)16(11)25(17)34/h4-8,24,27,30,33-35H,1-3H3,(H,29,36)/t24-,27-/m0/s1

> <INCHI_KEY>
AYAYSZMHAWZBCX-IGKIAQTJSA-N

> <FORMULA>
C28H21NO8

> <MOLECULAR_WEIGHT>
499.475

> <EXACT_MASS>
499.12671664

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
51.653315259400024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S,7S)-1,6,10,15,16-pentahydroxy-7-methoxy-3,11-dimethyl-6,7,9,14-tetrahydro-2-azahexaphene-9,14-dione

> <ALOGPS_LOGP>
3.22

> <JCHEM_LOGP>
4.719159733666666

> <ALOGPS_LOGS>
-3.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.797141046856514

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.491450526697547

> <JCHEM_PKA_STRONGEST_BASIC>
1.3483578267035439

> <JCHEM_POLAR_SURFACE_AREA>
157.41

> <JCHEM_REFRACTIVITY>
134.20469999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6S,7S)-1,6,10,15,16-pentahydroxy-7-methoxy-3,11-dimethyl-6,7-dihydro-2-azahexaphene-9,14-dione

> <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       6.276   0.417   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.022   1.123   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.373  -6.473   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.418   2.007   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.948   2.183   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.880  -0.467   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.739  -2.056   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.619  -2.763   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.806   0.593   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.492   0.947   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.351  -0.643   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.866   0.947   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.209  -2.233   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.701  -1.526   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.149  -2.586   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.433   0.593   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.291  -0.997   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.761  -1.173   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.254  -0.467   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.313  -0.113   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.724  -0.643   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.395   1.123   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.172  -1.703   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.597  -3.646   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      17.903   0.417   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.843   0.063   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.067  -3.823   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.045   2.007   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      21.574   2.183   0.000  0.00  0.00           N+0
HETATM   30  O   UNK     0       8.112  -2.056   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      13.007   2.537   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      10.560  -3.116   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      18.515  -4.883   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      16.985   1.653   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      15.455   1.477   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      19.127   3.243   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      15.455  -5.236   0.000  0.00  0.00           O+0
HETATM   38  H   UNK     0      16.985  -5.059   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      14.537  -4.000   0.000  0.00  0.00           H+0
CONECT    1    9                                                            
CONECT    2   10                                                            
CONECT    3   37                                                            
CONECT    4    5    9                                                       
CONECT    5    4   12                                                       
CONECT    6   10   11                                                       
CONECT    7   11   13                                                       
CONECT    8   14   15                                                       
CONECT    9    1    4   21                                                  
CONECT   10    2    6   29                                                  
CONECT   11    6    7   16                                                  
CONECT   12    5   19   22                                                  
CONECT   13    7   17   24                                                  
CONECT   14    8   20   23                                                  
CONECT   15    8   18   27                                                  
CONECT   16   11   25   28                                                  
CONECT   17   13   18   25                                                  
CONECT   18   15   17   26                                                  
CONECT   19   12   21   23                                                  
CONECT   20   14   22   26                                                  
CONECT   21    9   19   30                                                  
CONECT   22   12   20   31                                                  
CONECT   23   14   19   32                                                  
CONECT   24   13   27   33   38                                             
CONECT   25   16   17   34                                                  
CONECT   26   18   20   35                                                  
CONECT   27   15   24   37   39                                             
CONECT   28   16   29   36                                                  
CONECT   29   10   28                                                       
CONECT   30   21                                                            
CONECT   31   22                                                            
CONECT   32   23                                                            
CONECT   33   24                                                            
CONECT   34   25                                                            
CONECT   35   26                                                            
CONECT   36   28                                                            
CONECT   37    3   27                                                       
CONECT   38   24                                                            
CONECT   39   27                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

Synonyms

Not Available

Molecular Formula

C₂₈H₂₁NO₈

Average Mass

499.475

Monoisotopic Mass

499.12671664

IUPAC Name

(6S,7S)-1,6,10,15,16-pentahydroxy-7-methoxy-3,11-dimethyl-6,7,9,14-tetrahydro-2-azahexaphene-9,14-dione

Traditional Name

(6S,7S)-1,6,10,15,16-pentahydroxy-7-methoxy-3,11-dimethyl-6,7-dihydro-2-azahexaphene-9,14-dione

CAS Registry Number

Not Available

SMILES

[H][C@]1(O)C2=C(C(O)=C3C(O)=NC(C)=CC3=C2)C2=C(C=C3C(=O)C4=C(C=CC(C)=C4O)C(=O)C3=C2O)[C@]1([H])OC

InChI Identifier

InChI=1S/C28H21NO8/c1-9-4-5-12-19(21(9)30)23(32)14-8-15-18(26(35)20(14)22(12)31)17-13(24(33)27(15)37-3)7-11-6-10(2)29-28(36)16(11)25(17)34/h4-8,24,27,30,33-35H,1-3H3,(H,29,36)/t24-,27-/m0/s1

InChI Key

AYAYSZMHAWZBCX-IGKIAQTJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Tetracenequinone
9,10-anthraquinone
1,4-anthraquinone
Anthracene
Phenanthrene
1-naphthol
Isoquinolone
Isoquinoline
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Methylpyridine
Phenol
Pyridinone
Pyridine
Heteroaromatic compound
Vinylogous acid
Lactam
Ketone
Secondary alcohol
Dialkyl ether
Ether
Azacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic nitrogen compound
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
Organonitrogen 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	0.052 g/L	ALOGPS
logP	3.22	ALOGPS
logP	4.72	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	6.49	ChemAxon
pKa (Strongest Basic)	1.35	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	157.41 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	134.2 m³·mol⁻¹	ChemAxon
Polarizability	51.65 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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	Actinobacteria	2		Metabolic reconstruction

Exposure Sources

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

C00018380

Chemspider ID

4590039

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5488988

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 Ericamycin (MMDBc0012047)

MOL for #<Metabolite:0x00007fdb4c034268>

3D MOL for #<Metabolite:0x00007fdb4c034268>

3D SDF for #<Metabolite:0x00007fdb4c034268>

3D-SDF for #<Metabolite:0x00007fdb4c034268>

PDB for #<Metabolite:0x00007fdb4c034268>

3D PDB for #<Metabolite:0x00007fdb4c034268>

SMILES for #<Metabolite:0x00007fdb4c034268>

INCHI for #<Metabolite:0x00007fdb4c034268>

Structure for #<Metabolite:0x00007fdb4c034268>

3D Structure for #<Metabolite:0x00007fdb4c034268>