MiMeDB: Showing metabocard for Mirilactam A (MMDBc0018203)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 08:26:39 UTC

Update Date

2025-10-07 16:06:48 UTC

Metabolite ID

MMDBc0018203

Metabolite Identification

Common Name

Mirilactam A

Description

Mirilactam A is a 26-membered polyene macrolactam belonging to the chemical class of polyketides. Its structure features a complex arrangement of conjugated double bonds and a macrolactam ring, characteristic of this class, which contributes to its unique chemical properties. Mirilactam A is produced by the actinomycete Actinosynnema mirum and has been studied in the context of its biosynthetic pathways, which are closely related to those of other macrolactams, such as salinilactam. The gene clusters responsible for the biosynthesis of mirilactam A exhibit significant similarity to those of other related compounds, indicating a shared evolutionary origin and metabolic pathways (PMID:31248172 ). In experimental settings, Actinosynnema mirum NBRC 14064, the strain known for producing mirilactam A, has been cultured alongside Tsukamurella pulmonis, highlighting potential interactions and the ecological significance of these microorganisms in their natural environments (PMID:29863068 ). The study of mirilactam A not only enhances our understanding of polyketide biosynthesis but also provides insights into microbial interactions and secondary metabolite production.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152110262D          

 38 38  0  0  1  0            999 V2000
    1.7862   -4.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5006   -0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9296    1.8562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2151    0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0730    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.4437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3585    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    2.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    1.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  4  2  0  0  0  0
  5 11  1  4  0  0  0
 13 12  1  4  0  0  0
  8 14  1  4  0  0  0
 15 12  2  0  0  0  0
  9 16  1  4  0  0  0
 17 13  2  0  0  0  0
 10 18  1  4  0  0  0
 19 11  2  0  0  0  0
 21  1  1  4  0  0  0
 21 14  2  0  0  0  0
 15 21  1  4  0  0  0
 22  2  1  1  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 19 26  1  4  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 22  1  0  0  0  0
 28 26  1  0  0  0  0
 23 29  1  1  0  0  0
 24 30  1  1  0  0  0
 25 31  1  1  0  0  0
 32 26  2  0  0  0  0
 27 33  1  1  0  0  0
 22 34  1  6  0  0  0
 23 35  1  6  0  0  0
 24 36  1  6  0  0  0
 25 37  1  6  0  0  0
 27 38  1  6  0  0  0
M  END


  Mrv1652305152110262D          

 38 38  0  0  1  0            999 V2000
    1.7862   -4.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5006   -0.6187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9296    1.8562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2151    0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0730    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.4437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3585    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -1.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    2.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    1.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 10  4  2  0  0  0  0
  5 11  1  4  0  0  0
 13 12  1  4  0  0  0
  8 14  1  4  0  0  0
 15 12  2  0  0  0  0
  9 16  1  4  0  0  0
 17 13  2  0  0  0  0
 10 18  1  4  0  0  0
 19 11  2  0  0  0  0
 21  1  1  4  0  0  0
 21 14  2  0  0  0  0
 15 21  1  4  0  0  0
 22  2  1  1  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 19 26  1  4  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 22  1  0  0  0  0
 28 26  1  0  0  0  0
 23 29  1  1  0  0  0
 24 30  1  1  0  0  0
 25 31  1  1  0  0  0
 32 26  2  0  0  0  0
 27 33  1  1  0  0  0
 22 34  1  6  0  0  0
 23 35  1  6  0  0  0
 24 36  1  6  0  0  0
 25 37  1  6  0  0  0
 27 38  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0018203

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(C)CC=CC=CC=C(C)C=CC=C[C@]([H])(O)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CC=CC=CC=CC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C27H37NO5/c1-21-14-8-6-7-9-16-22(2)28-26(32)19-11-5-3-4-10-18-24(30)27(33)25(31)20-23(29)17-13-12-15-21/h3-15,17,19,22-25,27,29-31,33H,16,18,20H2,1-2H3,(H,28,32)/t22-,23-,24+,25-,27-/m0/s1

> <INCHI_KEY>
MYLIUIYRQGCHBT-DKLFHUDLSA-N

> <FORMULA>
C27H37NO5

> <MOLECULAR_WEIGHT>
455.595

> <EXACT_MASS>
455.267173295

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
52.391440935255055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

> <ALOGPS_LOGP>
3.13

> <JCHEM_LOGP>
2.0405100419999993

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.36022414118423

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.1011622583313

> <JCHEM_PKA_STRONGEST_BASIC>
-0.18240245426495372

> <JCHEM_POLAR_SURFACE_AREA>
110.02

> <JCHEM_REFRACTIVITY>
142.35360000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.69e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

> <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       3.334  -8.085   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.336  -1.925   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.336   5.775   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.003   5.005   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.670   5.005   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.335  -5.775   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.335  -4.235   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.002  -6.545   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.669  -3.465   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.669   5.775   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.670   3.465   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.001  -4.235   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.334  -3.465   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.668  -5.775   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.001  -5.775   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.669  -1.925   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.334  -1.925   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.335   5.005   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.336   2.695   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.668   0.385   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.334  -6.545   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.003  -1.155   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.668  -1.155   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.335   3.465   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.002   1.155   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.336   1.155   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.002   2.695   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      10.003   0.385   0.000  0.00  0.00           N+0
HETATM   29  O   UNK     0       6.002  -1.925   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.669   2.695   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       7.335   0.385   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      12.670   0.385   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.668   3.465   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0      10.003  -2.695   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       6.002  -0.385   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       8.669   4.235   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       7.335   1.925   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       6.002   4.235   0.000  0.00  0.00           H+0
CONECT    1   21                                                            
CONECT    2   22                                                            
CONECT    3    4    5                                                       
CONECT    4    3   10                                                       
CONECT    5    3   11                                                       
CONECT    6    7    8                                                       
CONECT    7    6    9                                                       
CONECT    8    6   14                                                       
CONECT    9    7   16                                                       
CONECT   10    4   18                                                       
CONECT   11    5   19                                                       
CONECT   12   13   15                                                       
CONECT   13   12   17                                                       
CONECT   14    8   21                                                       
CONECT   15   12   21                                                       
CONECT   16    9   22                                                       
CONECT   17   13   23                                                       
CONECT   18   10   24                                                       
CONECT   19   11   26                                                       
CONECT   20   23   25                                                       
CONECT   21    1   14   15                                                  
CONECT   22    2   16   28   34                                             
CONECT   23   17   20   29   35                                             
CONECT   24   18   27   30   36                                             
CONECT   25   20   27   31   37                                             
CONECT   26   19   28   32                                                  
CONECT   27   24   25   33   38                                             
CONECT   28   22   26                                                       
CONECT   29   23                                                            
CONECT   30   24                                                            
CONECT   31   25                                                            
CONECT   32   26                                                            
CONECT   33   27                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
CONECT   36   24                                                            
CONECT   37   25                                                            
CONECT   38   27                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   76    0
END

Synonyms

Not Available

Molecular Formula

C₂₇H₃₇NO₅

Average Mass

455.595

Monoisotopic Mass

455.267173295

IUPAC Name

(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

Traditional Name

(10R,11S,12S,14R,26S)-10,11,12,14-tetrahydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one

CAS Registry Number

Not Available

SMILES

[H][C@]1(C)CC=CC=CC=C(C)C=CC=C[C@]([H])(O)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CC=CC=CC=CC(=O)N1

InChI Identifier

InChI=1S/C27H37NO5/c1-21-14-8-6-7-9-16-22(2)28-26(32)19-11-5-3-4-10-18-24(30)27(33)25(31)20-23(29)17-13-12-15-21/h3-15,17,19,22-25,27,29-31,33H,16,18,20H2,1-2H3,(H,28,32)/t22-,23-,24+,25-,27-/m0/s1

InChI Key

MYLIUIYRQGCHBT-DKLFHUDLSA-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
Lactam
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid derivative
Polyol
Organoheterocyclic compound
Azacycle
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
Carbonyl group
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	0.017 g/L	ALOGPS
logP	3.13	ALOGPS
logP	2.04	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	13.1	ChemAxon
pKa (Strongest Basic)	-0.18	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.02 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	142.35 m³·mol⁻¹	ChemAxon
Polarizability	52.39 Å³	ChemAxon
Number of Rings	1	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

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-23	94.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	36.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	673.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	499.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	745.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	277.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	3389.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	87.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	550.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	674.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	219.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	197.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	176.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	9.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	271.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	192.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	509.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1492.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1678.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Mirilactam A_TMS_1	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1962.65
Gas Chromatography	Mirilactam A_TMS_2	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1514.77
Gas Chromatography	Mirilactam A_TMS_3	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	2509.84
Gas Chromatography	Mirilactam A_TMS_4	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1489.22
Gas Chromatography	Mirilactam A_TMS_5	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1629.58
Gas Chromatography	Mirilactam A_TMS_6	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1219.63
Gas Chromatography	Mirilactam A_TMS_7	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1999.97
Gas Chromatography	Mirilactam A_TMS_8	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	2656.85
Gas Chromatography	Mirilactam A_TMS_9	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1616.77
Gas Chromatography	Mirilactam A_TMS_10	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1909.34
Gas Chromatography	Mirilactam A_TMS_11	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1868.71
Gas Chromatography	Mirilactam A_TMS_12	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1723.94
Gas Chromatography	Mirilactam A_TMS_13	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	2444.92
Gas Chromatography	Mirilactam A_TMS_14	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	2279.31
Gas Chromatography	Mirilactam A_TMS_15	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1768.96
Gas Chromatography	Mirilactam A_TMS_16	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	2157.88
Gas Chromatography	Mirilactam A_TMS_17	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1356.89
Gas Chromatography	Mirilactam A_TMS_18	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	2452.16
Gas Chromatography	Mirilactam A_TMS_19	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	2231.29
Gas Chromatography	Mirilactam A_TMS_20	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	2402.06
Gas Chromatography	Mirilactam A_TMS_21	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1338.12
Gas Chromatography	Mirilactam A_TMS_22	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1743.54
Gas Chromatography	Mirilactam A_TMS_23	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1989.45
Gas Chromatography	Mirilactam A_TMS_24	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	2082.6
Gas Chromatography	Mirilactam A_TMS_25	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	2857.23
Gas Chromatography	Mirilactam A_TMS_26	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	3694.75
Gas Chromatography	Mirilactam A_TMS_27	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	-22.8405
Gas Chromatography	Mirilactam A_TMS_28	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1342.27
Gas Chromatography	Mirilactam A_TMS_29	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1490.67
Gas Chromatography	Mirilactam A_TMS_30	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard non polar	2025-10-23	1561.99
Gas Chromatography	Mirilactam A_TMS_31	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard non polar	2025-10-23	1162.09
Gas Chromatography	Mirilactam A_TMS_1	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2203.34
Gas Chromatography	Mirilactam A_TMS_2	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2234.89
Gas Chromatography	Mirilactam A_TMS_3	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	1866.12
Gas Chromatography	Mirilactam A_TMS_4	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2637.84
Gas Chromatography	Mirilactam A_TMS_5	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2870.3
Gas Chromatography	Mirilactam A_TMS_6	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2961.61
Gas Chromatography	Mirilactam A_TMS_7	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2278.5
Gas Chromatography	Mirilactam A_TMS_8	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	1700.03
Gas Chromatography	Mirilactam A_TMS_9	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2311.57
Gas Chromatography	Mirilactam A_TMS_10	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2195.69
Gas Chromatography	Mirilactam A_TMS_11	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	1543.33
Gas Chromatography	Mirilactam A_TMS_12	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	1513.21
Gas Chromatography	Mirilactam A_TMS_13	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	3590.77
Gas Chromatography	Mirilactam A_TMS_14	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	1943.77
Gas Chromatography	Mirilactam A_TMS_15	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	3475.02
Gas Chromatography	Mirilactam A_TMS_16	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2886.83
Gas Chromatography	Mirilactam A_TMS_17	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	1557.19
Gas Chromatography	Mirilactam A_TMS_18	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	3157.45
Gas Chromatography	Mirilactam A_TMS_19	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	1955.76
Gas Chromatography	Mirilactam A_TMS_20	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2598.43
Gas Chromatography	Mirilactam A_TMS_21	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	3089.37
Gas Chromatography	Mirilactam A_TMS_22	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2849.87
Gas Chromatography	Mirilactam A_TMS_23	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	3032.12
Gas Chromatography	Mirilactam A_TMS_24	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	1391.4
Gas Chromatography	Mirilactam A_TMS_25	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2520.6
Gas Chromatography	Mirilactam A_TMS_26	CC1=CC=CC=CC[C@H](C)NC(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2595.7
Gas Chromatography	Mirilactam A_TMS_27	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	1391.99
Gas Chromatography	Mirilactam A_TMS_28	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2119.44
Gas Chromatography	Mirilactam A_TMS_29	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2778.62
Gas Chromatography	Mirilactam A_TMS_30	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O)C=CC=C1	standard polar	2025-10-23	2793.06
Gas Chromatography	Mirilactam A_TMS_31	CC1=CC=CC=CC[C@H](C)N([Si](C)(C)C)C(=O)C=CC=CC=CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)C=CC=C1	standard polar	2025-10-23	2758.08

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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/Eubacteria	Actinobacteria	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	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

139588130

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

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 Mirilactam A (MMDBc0018203)

MOL for #<Metabolite:0x00005643202591a8>

3D MOL for #<Metabolite:0x00005643202591a8>

3D SDF for #<Metabolite:0x00005643202591a8>

3D-SDF for #<Metabolite:0x00005643202591a8>

PDB for #<Metabolite:0x00005643202591a8>

3D PDB for #<Metabolite:0x00005643202591a8>

SMILES for #<Metabolite:0x00005643202591a8>

INCHI for #<Metabolite:0x00005643202591a8>

Structure for #<Metabolite:0x00005643202591a8>

3D Structure for #<Metabolite:0x00005643202591a8>