DT-Web

DB01676 - Trinitrotoluene


Identification
Name Trinitrotoluene
Accession Number DB01676 (EXPT03079)
Type small molecule
Description A 2,4,6-trinitrotoluene is an explosive chemical that can cause skin irritation and other toxic consequences. [PubChem]
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 227.1311
Groups experimental
Monoisotopic Weight 227.017834907
Pharmacology
Indication Not Available
Mechanism of action Not Available
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Pentaerythritol tetranitrate reductase
Name Pentaerythritol tetranitrate reductase
Gene Name onr
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 1.5054

Predictions


Id Partner name Gene Name Score
6647 Geranyltranstransferase (Farnesyldiphosphate synthase) ispA 0.0898
2756 Geranyltranstransferase ispA 0.0721
853 Farnesyl pyrophosphate synthetase FDPS 0.0456
5191 Morphinone reductase morB 0.0068
5198 Flavodoxin-1 fldA 0.0068
5170 Epidermin decarboxylase epiD 0.0068
5197 Trp repressor binding protein WrbA, putative DR_A0214 0.0068
5175 Hypothetical protein SMU.260 SMU_260 0.0068
5200 NADH dehydrogenase nox 0.0068
2586 Isopentenyl-diphosphate Delta-isomerase idi 0.0068
5187 Isopentenyl-diphosphate delta-isomerase fni 0.0068
5199 Isopentenyl-diphosphate delta-isomerase fni 0.0068
5131 PhzG phzG 0.0068
5201 FMN-binding protein DvMF_2023 0.0068
5193 Phenazine biosynthesis protein phzG phzG 0.0068
5178 Protein nrdI nrdI 0.0068
3293 Flavodoxin Not Available 0.0068
4614 Flavodoxin DVU_2680 0.0068
5172 Flavodoxin isiB 0.0068
5173 Flavodoxin isiB 0.0068
5182 Flavodoxin fldA 0.0068
4037 Hypothetical protein GPX1 0.0068
4297 Hypothetical protein SP_1951 0.0068
4521 Hypothetical protein BC_2969 0.0068
4540 Hypothetical protein TM_1070 0.0068
4555 Hypothetical protein MT1739 0.0068
4569 Hypothetical protein mshD 0.0068
4578 Hypothetical protein PA3270 0.0068
4747 Hypothetical protein PA3967 0.0068
5177 Hypothetical protein TM_0096 0.0068
5194 Hypothetical protein PA1204 0.0068
5240 Hypothetical protein Rv2991 0.0068
5370 Hypothetical protein TM_1158 0.0068
5710 Hypothetical protein Tb927.5.1360 0.0068
5181 Hypothetical protein yhdA azr 0.0068
5179 Probable aromatic acid decarboxylase pad1 0.0068
5202 Nitroreductase family protein BC_1844 0.0068
4405 Nitric oxide reductase fprA 0.0068
5190 Rubredoxin-oxygen oxidoreductase roo 0.0068
4407 FMN-dependent NADH-azoreductase azoR 0.0059
5169 FMN-dependent NADH-azoreductase azoR 0.0059
5189 Trimethylamine dehydrogenase tmd 0.0059
4503 NADPH-flavin oxidoreductase frp 0.0059
3680 Dihydroorotate dehydrogenase A pyrDA 0.0059
5206 Phosphopantothenoylcysteine decarboxylase PPCDC 0.0059
3766 Pyridoxamine 5'-phosphate oxidase pdxH 0.0059
3507 Chorismate synthase aroC 0.0059
5171 Chorismate synthase aroC 0.0059
5176 YtnJ moxC 0.0059
4836 Ferredoxin-dependent glutamate synthase 2 gltS 0.0059
6608 Serine/threonine-protein kinase Sgk1 SGK1 0.0054
2775 Dihydroorotate dehydrogenase pyrD 0.0054
5180 L(+)-mandelate dehydrogenase mdlB 0.0051
4366 Riboflavin kinase/FMN adenylyltransferase TM_0857 0.0051
3573 2,4-dienoyl-CoA reductase [NADPH] fadH 0.0051
408 Riboflavin kinase RFK 0.0048
685 Oxygen-insensitive NADPH nitroreductase nfsA 0.0048
6945 Oxygen-insensitive NADPH nitroreductase rdxA 0.0048
2261 Major NAD(P)H-flavin oxidoreductase Not Available 0.0048
2936 Oxygen-insensitive NAD(P)H nitroreductase nfnB 0.0047
5184 Oxygen-insensitive NAD(P)H nitroreductase nfnB 0.0047
203 Pyridoxine-5'-phosphate oxidase PNPO 0.0047
6268 Hydroxyacid oxidase 1 HAO1 0.0043
654 Flavin reductase BLVRB 0.0041
1302 Dihydropyrimidine dehydrogenase [NADP+] DPYD 0.004
424 Dihydroorotate dehydrogenase, mitochondrial DHODH 0.0035
76 Nitric-oxide synthase, brain NOS1 0.0034
4120 NADPH--cytochrome P450 reductase POR 0.0031
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