MiMeDB: Showing metabocard for Dehydroxynocardamine (MMDBc0017185)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 07:38:28 UTC

Update Date

2022-08-31 06:41:58 UTC

Metabolite ID

MMDBc0017185

Metabolite Identification

Common Name

Dehydroxynocardamine

Description

1,5,12,16,24,27-hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,23,27-tetraene-2,13-dione belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides. 1,5,12,16,24,27-hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,23,27-tetraene-2,13-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004241518282D          

 41 41  0  0  0  0            999 V2000
    5.2191    5.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    4.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456    4.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6572    3.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0574    3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6301    2.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0276    1.6775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7754    0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9678   -1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   -1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405   -1.8854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156   -1.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5106   -3.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4807   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -4.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286   -5.4311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4037   -5.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -6.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4336   -3.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0361   -3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -3.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -2.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660   -1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5531    1.7293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    3.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6129    4.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1998    5.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END


  Mrv1533004241518282D          

 41 41  0  0  0  0            999 V2000
    5.2191    5.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    4.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8456    4.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6572    3.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0574    3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6301    2.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0276    1.6775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6002    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7754    0.9891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9977    0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703   -0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9678   -1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926   -1.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405   -1.8854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156   -1.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -2.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5106   -3.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4807   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -4.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286   -5.4311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4037   -5.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -6.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4336   -3.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0361   -3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2113   -3.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -2.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660   -1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232    0.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    1.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5531    1.7293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1556    2.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5830    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    3.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6129    4.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1998    5.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  2 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0017185

> <DATABASE_NAME>
MIME

> <SMILES>
ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H48N6O8/c34-22-10-11-23(35)29-18-6-2-8-20-32(40)27(39)15-13-25(37)31-19-7-3-9-21-33(41)26(38)14-12-24(36)30-17-5-1-4-16-28-22/h40-41H,1-21H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37)

> <INCHI_KEY>
ABHHIGWFFMCQOC-UHFFFAOYSA-N

> <FORMULA>
C27H48N6O8

> <MOLECULAR_WEIGHT>
584.715

> <EXACT_MASS>
584.35336253

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
63.63585517333745

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,12-dihydroxy-1,6,12,17,23,28-hexaazacyclotritriacontane-2,5,13,16,24,27-hexone

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
-2.1503132496666657

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.687263751674797

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.085203817907317

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3465296772352402

> <JCHEM_POLAR_SURFACE_AREA>
197.48

> <JCHEM_REFRACTIVITY>
150.87960000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.83e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,12-dihydroxy-1,6,12,17,23,28-hexaazacyclotritriacontane-2,5,13,16,24,27-hexone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  O   UNK     0       9.742  10.037   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0      10.295   8.600   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      11.461   9.606   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.778   8.808   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.427   7.309   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.174   5.798   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.376   4.481   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      13.118   3.131   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      12.320   1.814   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.781   1.846   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      13.062   0.465   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.265  -0.853   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.007  -2.202   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      14.546  -2.234   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      12.209  -3.519   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      10.669  -3.487   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.951  -4.869   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.153  -6.186   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.895  -7.536   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.097  -8.853   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.558  -8.821   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       9.760 -10.138   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       8.220 -10.106   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.423 -11.423   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       7.478  -8.756   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.276  -7.439   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.534  -6.090   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.994  -6.057   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       8.332  -4.772   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0       7.590  -3.423   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.388  -2.106   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.646  -0.756   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.443   0.561   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.701   1.911   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       8.499   3.228   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0       7.757   4.577   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.218   4.610   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.555   5.895   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.813   7.244   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.611   8.562   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       7.840   9.895   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    2   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   82    0
END

Synonyms

Value	Source
Dehydroxynocardamine	MeSH

Molecular Formula

C₂₇H₄₈N₆O₈

Average Mass

584.715

Monoisotopic Mass

584.35336253

IUPAC Name

1,12-dihydroxy-1,6,12,17,23,28-hexaazacyclotritriacontane-2,5,13,16,24,27-hexone

Traditional Name

1,12-dihydroxy-1,6,12,17,23,28-hexaazacyclotritriacontane-2,5,13,16,24,27-hexone

CAS Registry Number

Not Available

SMILES

ON1CCCCCNC(=O)CCC(=O)NCCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O

InChI Identifier

InChI=1S/C27H48N6O8/c34-22-10-11-23(35)29-18-6-2-8-20-32(40)27(39)15-13-25(37)31-19-7-3-9-21-33(41)26(38)14-12-24(36)30-17-5-1-4-16-28-22/h40-41H,1-21H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37)

InChI Key

ABHHIGWFFMCQOC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolactams

Sub Class

Not Available

Direct Parent

Macrolactams

Alternative Parents

Substituents

Macrolactam
Carboxamide group
Hydroxamic acid
Lactam
Secondary carboxylic acid amide
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organic nitrogen compound
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	0.28 g/L	ALOGPS
logP	0.69	ALOGPS
logP	-2.2	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	8.09	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	197.48 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	150.88 m³·mol⁻¹	ChemAxon
Polarizability	63.64 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	Actinobacteria	2	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

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

11606728

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 Dehydroxynocardamine (MMDBc0017185)

MOL for #<Metabolite:0x00007f46d8a7cf30>

3D MOL for #<Metabolite:0x00007f46d8a7cf30>

3D SDF for #<Metabolite:0x00007f46d8a7cf30>

3D-SDF for #<Metabolite:0x00007f46d8a7cf30>

PDB for #<Metabolite:0x00007f46d8a7cf30>

3D PDB for #<Metabolite:0x00007f46d8a7cf30>

SMILES for #<Metabolite:0x00007f46d8a7cf30>

INCHI for #<Metabolite:0x00007f46d8a7cf30>

Structure for #<Metabolite:0x00007f46d8a7cf30>

3D Structure for #<Metabolite:0x00007f46d8a7cf30>