MiMeDB: Showing metabocard for 8-oxo-dGTP (MMDBc0031160)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:37:47 UTC

Update Date

2022-08-31 17:59:00 UTC

Metabolite ID

MMDBc0031160

Metabolite Identification

Common Name

8-oxo-dGTP

Description

8-oxo-dGTP is a product of oxidative modification of dGTP that can be misincorporated into DNA, causing AT-->CG mutations. 8-Oxo-dG DNA lesions are formed in the cell by reactive oxygen species. These can be present due to normal oxidative metabolic processes such as UV ionizing radiation.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304202017482D          

 32 34  0  0  1  0            999 V2000
 9999.7798 9992.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1061 9993.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.5649 9993.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8652 9991.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4113 9994.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3304 9994.0995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.3649 9992.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7100 9991.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4653 9992.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.0720 9993.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8068 9990.5867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8964 9994.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0137 9993.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.2992 9992.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5847 9993.2621    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9963 9993.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1711 9993.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5678 9993.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9004 9992.9610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.1553 9992.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.9803 9992.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2352 9992.9610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6703 9991.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.8661 9992.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.1516 9993.2600    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5632 9993.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7380 9993.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.4330 9992.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7185 9993.2579    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1301 9993.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.9999 9992.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3049 9993.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 13  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
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 22  2  1  1  0  0  0
 19 13  1  1  0  0  0
 20 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 25 28  1  0  0  0  0
M  END


  Mrv1652304202017482D          

 32 34  0  0  1  0            999 V2000
 9999.7798 9992.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1061 9993.2175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.5649 9993.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8652 9991.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4113 9994.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3304 9994.0995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.3649 9992.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7100 9991.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4653 9992.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.0720 9993.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8068 9990.5867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8964 9994.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0137 9993.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.2992 9992.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5847 9993.2621    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9963 9993.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1711 9993.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5678 9993.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9004 9992.9610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.1553 9992.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.9803 9992.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2352 9992.9610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6703 9991.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.8661 9992.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.1516 9993.2600    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5632 9993.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7380 9993.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.4330 9992.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7185 9993.2579    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1301 9993.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.9999 9992.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3049 9993.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 13  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
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 22  2  1  1  0  0  0
 19 13  1  1  0  0  0
 20 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031160

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1

> <INCHI_KEY>
BUZOGVVQWCXXDP-VPENINKCSA-N

> <FORMULA>
C10H16N5O14P3

> <MOLECULAR_WEIGHT>
523.1804

> <EXACT_MASS>
522.990659781

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
39.09797216472636

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,5R)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
-3.4938587613690575

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
2.5332765375494524

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9784214634217574

> <JCHEM_PKA_STRONGEST_BASIC>
0.1465602631710755

> <JCHEM_POLAR_SURFACE_AREA>
289.09999999999997

> <JCHEM_REFRACTIVITY>
105.51209999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-oxo-dGTP

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  C   UNK     0    8666.2568653.117   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8664.9988654.006   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8667.7218654.208   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    8666.4158651.429   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8665.5688655.659   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0    8667.2838655.652   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0    8669.2148653.541   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8667.9928650.742   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8669.4028651.777   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0    8670.5348654.527   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0    8668.1738649.095   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0    8664.6078657.013   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8659.2268654.089   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8657.8928653.319   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0    8656.5588654.089   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0    8657.3268655.421   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8655.7868655.421   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8662.1278654.433   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    8660.8818653.527   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8661.3578652.063   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8662.8978652.063   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8663.3728653.527   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0    8660.4518650.817   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0    8655.2178653.316   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0    8653.8838654.085   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0    8654.6518655.417   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0    8653.1118655.417   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0    8652.5428653.312   0.000  0.00  0.00           O+0
HETATM   29  P   UNK     0    8651.2088654.081   0.000  0.00  0.00           P+0
HETATM   30  O   UNK     0    8651.9768655.413   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8649.8668653.308   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0    8650.4368655.413   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5   22                                                  
CONECT    3    1    6    7                                                  
CONECT    4    1    8                                                       
CONECT    5    2    6   12                                                  
CONECT    6    3    5                                                       
CONECT    7    3    9   10                                                  
CONECT    8    4   11    9                                                  
CONECT    9    7    8                                                       
CONECT   10    7                                                            
CONECT   11    8                                                            
CONECT   12    5                                                            
CONECT   13   14   19                                                       
CONECT   14   15   13                                                       
CONECT   15   14   16   17   24                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   19   22                                                       
CONECT   19   20   18   13                                                  
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21   18    2                                                  
CONECT   23   20                                                            
CONECT   24   25   15                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   29   25                                                       
CONECT   29   28   30   31   32                                             
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   29                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

Synonyms

Value	Source
8-oxo-7,8-Dihydro-2'-deoxyguanosine 5'-triphosphate	ChEBI
8-oxo-7,8-Dihydro-2'-dGTP	ChEBI
8-Oxodeoxyguanosine triphosphate	ChEBI
8-oxo-7,8-Dihydro-2'-deoxyguanosine 5'-triphosphoric acid	Generator
8-Oxodeoxyguanosine triphosphoric acid	Generator
8-OxodGTP	MeSH

Molecular Formula

C₁₀H₁₆N₅O₁₄P₃

Average Mass

523.1804

Monoisotopic Mass

522.990659781

IUPAC Name

({[({[(2R,3S,5R)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

8-oxo-dGTP

CAS Registry Number

139307-94-1

SMILES

NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1

InChI Identifier

InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1

InChI Key

BUZOGVVQWCXXDP-VPENINKCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine deoxyribonucleotides

Direct Parent

Purine 2'-deoxyribonucleoside triphosphates

Alternative Parents

Substituents

Purine 2'-deoxyribonucleoside triphosphate
Imidazopyrimidine
Purine
Hydroxypyrimidine
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Pyrimidine
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:63220 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	10.9 g/L	ALOGPS
logP	-0.45	ALOGPS
logP	-3.5	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	0.98	ChemAxon
pKa (Strongest Basic)	0.15	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	289.1 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	105.51 m³·mol⁻¹	ChemAxon
Polarizability	39.1 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_37) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0900000000-fa699eeae800d358b363	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-0900000000-03561090528e941efbc5	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0gb9-0900000000-b0bdb44fd47c1a3b341f	2015-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00di-0320290000-3c8695b8a4eb4e6b737e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057l-8950010000-3791d75d4282916b6533	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056r-9810000000-91ff82c6a5066cb45fc5	2015-09-15	View Spectrum

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

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	Proteobacteria	5	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Bacteria	Firmicutes	4	Human feces; Human
Bacteria	Actinobacteria	3	Human
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

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

C19967

BioCyc ID

CPD0-1905

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107902

PDB ID

Not Available

ChEBI ID

63220

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 8-oxo-dGTP (MMDBc0031160)

MOL for #<Metabolite:0x00007fecf468b0a8>

3D MOL for #<Metabolite:0x00007fecf468b0a8>

3D SDF for #<Metabolite:0x00007fecf468b0a8>

3D-SDF for #<Metabolite:0x00007fecf468b0a8>

PDB for #<Metabolite:0x00007fecf468b0a8>

3D PDB for #<Metabolite:0x00007fecf468b0a8>

SMILES for #<Metabolite:0x00007fecf468b0a8>

INCHI for #<Metabolite:0x00007fecf468b0a8>

Structure for #<Metabolite:0x00007fecf468b0a8>

3D Structure for #<Metabolite:0x00007fecf468b0a8>