MiMeDB: Showing metabocard for Bezerramycin A (MMDBc0001237)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-14 19:32:47 UTC

Update Date

2025-10-07 16:04:26 UTC

Metabolite ID

MMDBc0001237

Metabolite Identification

Common Name

Bezerramycin A

Description

Bezerramycin A is a secondary metabolite belonging to the class of polyketides. Its chemical structure features a complex arrangement of carbon rings and functional groups typical of polyketide compounds, which are synthesized through the polyketide biosynthetic pathway involving modular enzymes known as polyketide synthases. Bezerramycin A was identified through a combination of genomic analysis, the one strain many compounds (OSMAC) strategy, and various chromatographic techniques from the culture of Streptomyces sp. (PMID:40299064 ). In terms of biological pathways, bezerramycin A is involved in the microbial production of bioactive compounds, contributing to the ecological interactions within its environment. This metabolite, like other polyketides, may play roles in antimicrobial activity, influencing the survival and competitiveness of the producing organism in its natural habitat. The detailed understanding of its biosynthetic pathway and structural characteristics can provide insights into the development of novel therapeutic agents derived from microbial sources.

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004201504442D          

 21 23  0  0  0  0            999 V2000
    2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  4 21  1  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0001237

> <DATABASE_NAME>
MIME

> <SMILES>
NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C12

> <INCHI_IDENTIFIER>
InChI=1S/C14H11N3O4/c15-12-8(19)4-10-13(11(12)14(16)20)17-7-3-6(5-18)1-2-9(7)21-10/h1-4,18H,5,15H2,(H2,16,20)

> <INCHI_KEY>
HNZCCGYVANEENU-UHFFFAOYSA-N

> <FORMULA>
C14H11N3O4

> <MOLECULAR_WEIGHT>
285.259

> <EXACT_MASS>
285.074955846

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
28.05618332906613

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxamide

> <ALOGPS_LOGP>
-0.25

> <JCHEM_LOGP>
-0.7932998316666664

> <ALOGPS_LOGS>
-3.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.414355298982471

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.66340964521613

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1654436023483008

> <JCHEM_POLAR_SURFACE_AREA>
128.0

> <JCHEM_REFRACTIVITY>
78.28100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-8-(hydroxymethyl)-3-oxophenoxazine-1-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  N   UNK     0       5.335  -7.700   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.334  -5.390   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       6.668  -5.390   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   21                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   12   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20    4   10                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

Synonyms

Value	Source
2-Amino-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboximidate	Generator

Molecular Formula

C₁₄H₁₁N₃O₄

Average Mass

285.259

Monoisotopic Mass

285.074955846

IUPAC Name

2-amino-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxamide

Traditional Name

2-amino-8-(hydroxymethyl)-3-oxophenoxazine-1-carboxamide

CAS Registry Number

Not Available

SMILES

NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C12

InChI Identifier

InChI=1S/C14H11N3O4/c15-12-8(19)4-10-13(11(12)14(16)20)17-7-3-6(5-18)1-2-9(7)21-10/h1-4,18H,5,15H2,(H2,16,20)

InChI Key

HNZCCGYVANEENU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzoxazines

Sub Class

Phenoxazines

Direct Parent

Phenoxazines

Alternative Parents

Substituents

Phenoxazine
Benzenoid
Heteroaromatic compound
Vinylogous amide
Amino acid or derivatives
Carboxamide group
Primary carboxylic acid amide
Cyclic ketone
Carboxylic acid derivative
Oxacycle
Azacycle
Hydrocarbon derivative
Primary amine
Primary alcohol
Organic oxide
Organooxygen compound
Organonitrogen compound
Alcohol
Organic oxygen compound
Aromatic alcohol
Amine
Organic nitrogen 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	0.15 g/L	ALOGPS
logP	-0.25	ALOGPS
logP	-0.79	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	14.66	ChemAxon
pKa (Strongest Basic)	-1.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	128 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	78.28 m³·mol⁻¹	ChemAxon
Polarizability	28.06 Å³	ChemAxon
Number of Rings	3	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 (eluted)	2025-10-23	415.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	136.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	126.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	307.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	262.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	235.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	850.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	607.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	395.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	169.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	353.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	168.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	85.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	191.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	418.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	81.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	213.5
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	930.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	652.5

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Bezerramycin A_TMS_1	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N)=C(C(N)=O)C3=NC2=C1	standard non polar	2025-10-23	2306.78
Gas Chromatography	Bezerramycin A_TMS_2	C[Si](C)(C)NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard non polar	2025-10-23	1624.11
Gas Chromatography	Bezerramycin A_TMS_3	C[Si](C)(C)NC1=C(C(N)=O)C2=NC3=CC(CO)=CC=C3OC2=CC1=O	standard non polar	2025-10-23	1762.62
Gas Chromatography	Bezerramycin A_TMS_4	C[Si](C)(C)NC1=C(C(N)=O)C2=NC3=CC(CO[Si](C)(C)C)=CC=C3OC2=CC1=O	standard non polar	2025-10-23	1597.29
Gas Chromatography	Bezerramycin A_TMS_5	C[Si](C)(C)NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard non polar	2025-10-23	1894.88
Gas Chromatography	Bezerramycin A_TMS_6	C[Si](C)(C)NC(=O)C1=C(N[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard non polar	2025-10-23	2543.0
Gas Chromatography	Bezerramycin A_TMS_7	C[Si](C)(C)N(C(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21)[Si](C)(C)C	standard non polar	2025-10-23	2033.12
Gas Chromatography	Bezerramycin A_TMS_8	C[Si](C)(C)N(C1=C(C(N)=O)C2=NC3=CC(CO)=CC=C3OC2=CC1=O)[Si](C)(C)C	standard non polar	2025-10-23	950.696
Gas Chromatography	Bezerramycin A_TMS_9	C[Si](C)(C)NC(=O)C1=C(N[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard non polar	2025-10-23	1513.31
Gas Chromatography	Bezerramycin A_TMS_10	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N([Si](C)(C)C)[Si](C)(C)C)=C(C(N)=O)C3=NC2=C1	standard non polar	2025-10-23	2957.32
Gas Chromatography	Bezerramycin A_TMS_11	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=NC2=C1	standard non polar	2025-10-23	1482.27
Gas Chromatography	Bezerramycin A_TMS_12	C[Si](C)(C)NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C2=NC3=CC(CO)=CC=C3OC2=CC1=O	standard non polar	2025-10-23	1594.52
Gas Chromatography	Bezerramycin A_TMS_13	C[Si](C)(C)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard non polar	2025-10-23	1544.23
Gas Chromatography	Bezerramycin A_TMS_14	C[Si](C)(C)NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C2=NC3=CC(CO[Si](C)(C)C)=CC=C3OC2=CC1=O	standard non polar	2025-10-23	1690.68
Gas Chromatography	Bezerramycin A_TMS_15	C[Si](C)(C)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard non polar	2025-10-23	1460.77
Gas Chromatography	Bezerramycin A_TMS_16	C[Si](C)(C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21)[Si](C)(C)C	standard non polar	2025-10-23	2175.64
Gas Chromatography	Bezerramycin A_TMS_17	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=NC2=C1	standard non polar	2025-10-23	2263.69
Gas Chromatography	Bezerramycin A_TMS_1	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N)=C(C(N)=O)C3=NC2=C1	standard polar	2025-10-23	2036.12
Gas Chromatography	Bezerramycin A_TMS_2	C[Si](C)(C)NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard polar	2025-10-23	1857.35
Gas Chromatography	Bezerramycin A_TMS_3	C[Si](C)(C)NC1=C(C(N)=O)C2=NC3=CC(CO)=CC=C3OC2=CC1=O	standard polar	2025-10-23	2187.12
Gas Chromatography	Bezerramycin A_TMS_4	C[Si](C)(C)NC1=C(C(N)=O)C2=NC3=CC(CO[Si](C)(C)C)=CC=C3OC2=CC1=O	standard polar	2025-10-23	2610.6
Gas Chromatography	Bezerramycin A_TMS_5	C[Si](C)(C)NC(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard polar	2025-10-23	2726.19
Gas Chromatography	Bezerramycin A_TMS_6	C[Si](C)(C)NC(=O)C1=C(N[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard polar	2025-10-23	1699.24
Gas Chromatography	Bezerramycin A_TMS_7	C[Si](C)(C)N(C(=O)C1=C(N)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21)[Si](C)(C)C	standard polar	2025-10-23	682.661
Gas Chromatography	Bezerramycin A_TMS_8	C[Si](C)(C)N(C1=C(C(N)=O)C2=NC3=CC(CO)=CC=C3OC2=CC1=O)[Si](C)(C)C	standard polar	2025-10-23	1784.39
Gas Chromatography	Bezerramycin A_TMS_9	C[Si](C)(C)NC(=O)C1=C(N[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard polar	2025-10-23	1675.16
Gas Chromatography	Bezerramycin A_TMS_10	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N([Si](C)(C)C)[Si](C)(C)C)=C(C(N)=O)C3=NC2=C1	standard polar	2025-10-23	1847.45
Gas Chromatography	Bezerramycin A_TMS_11	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=NC2=C1	standard polar	2025-10-23	1590.55
Gas Chromatography	Bezerramycin A_TMS_12	C[Si](C)(C)NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C2=NC3=CC(CO)=CC=C3OC2=CC1=O	standard polar	2025-10-23	1281.66
Gas Chromatography	Bezerramycin A_TMS_13	C[Si](C)(C)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21	standard polar	2025-10-23	2010.16
Gas Chromatography	Bezerramycin A_TMS_14	C[Si](C)(C)NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C2=NC3=CC(CO[Si](C)(C)C)=CC=C3OC2=CC1=O	standard polar	2025-10-23	3058.13
Gas Chromatography	Bezerramycin A_TMS_15	C[Si](C)(C)NC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO[Si](C)(C)C)C=C3N=C21	standard polar	2025-10-23	2520.76
Gas Chromatography	Bezerramycin A_TMS_16	C[Si](C)(C)N(C(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)C=C2OC3=CC=C(CO)C=C3N=C21)[Si](C)(C)C	standard polar	2025-10-23	2021.2
Gas Chromatography	Bezerramycin A_TMS_17	C[Si](C)(C)OCC1=CC=C2OC3=CC(=O)C(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C3=NC2=C1	standard polar	2025-10-23	1072.37

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

46183338

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 Bezerramycin A (MMDBc0001237)

MOL for #<Metabolite:0x00007f9aa567c310>

3D MOL for #<Metabolite:0x00007f9aa567c310>

3D SDF for #<Metabolite:0x00007f9aa567c310>

3D-SDF for #<Metabolite:0x00007f9aa567c310>

PDB for #<Metabolite:0x00007f9aa567c310>

3D PDB for #<Metabolite:0x00007f9aa567c310>

SMILES for #<Metabolite:0x00007f9aa567c310>

INCHI for #<Metabolite:0x00007f9aa567c310>

Structure for #<Metabolite:0x00007f9aa567c310>

3D Structure for #<Metabolite:0x00007f9aa567c310>