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colibactin
Description
colibactin: a hybrid peptide-polyketide secreted by E coli [MeSH]
colibactin : A member of the class of 1,3-thiazoles that comprises of two units of 2-[(2-{6-[(2S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl}acetamido)methyl]-1,3-thiazole-4-carboxylic acid linked together via the formal condensation of the carboxy groups. It is a secondary metabolite produced by certain strains of bacteria found in the human gut such as Escherichia coli. It has the ability to bind covalently to DNA and is strongly associated with colorectal cancer. [CHeBI]
Cross-References
Synonyms (9)
| Synonym |
|---|
| CHEBI:156303 |
| colibactin |
| 2-{6-[(2s)-2-methyl-3,4-dihydro-2h-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl}-n-({4-[{4-[(2-{6-[(2s)-2-methyl-3,4-dihydro-2h-pyrrol-5-yl]-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl}acetamido)acetyl]-1,3-thiazol-2-yl}(oxo)acetyl]-1,3-thiazol-2-yl}methyl)ac |
| Q66363675 |
| HY-145930 |
| CS-0435576 |
| DTXSID501336855 |
| n-(2-(2-(2-(2-((2-(6-((s)-2-methyl-3,4-dihydro-2h-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((s)-2-methyl-3,4-dihydro-2h-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acet |
| 2828423-98-7 |
Roles (4)
| Role | Description |
|---|
| alkylating agent | Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. |
| Escherichia coli metabolite | Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| genotoxin | A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. |
| carcinogenic agent | A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. |
Drug Classes (5)
| Class | Description |
|---|
| 1,3-thiazoles | |
| polyketide | Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. |
| pyrroline | Any organic heteromonocyclic compound with a structure based on a dihydropyrrole. |
| secondary carboxamide | A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1). |
| azaspiro compound | An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle. |
Research
Studies (146)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (0.68) | 29.6817 |
| 2010's | 83 (56.85) | 24.3611 |
| 2020's | 62 (42.47) | 2.80 |
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|
| Trials | 1 (0.66%) | 5.53% |
| Reviews | 23 (15.23%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 127 (84.11%) | 84.16% |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| 2-(4-methyl-1,3-thiazol-5-yl)ethanol | | 1,3-thiazoles;
primary alcohol | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-aminothiazole | | 1,3-thiazoles;
primary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| famotidine | | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nizatidine | | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phthalylsulfathiazole | | 1,3-thiazoles;
dicarboxylic acid monoamide;
sulfonamide antibiotic;
sulfonamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| succinylsulfathiazole | | 1,3-thiazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfathiazole | | 1,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiabendazole | | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niridazole | | 1,3-thiazoles;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiazoles | | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methylthiazole | | 1,3-thiazoles | Maillard reaction product | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-aminothiazoline | | 1,3-thiazoles;
primary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-delta(2)-thiazoline-4-carboxylic acid | | 1,3-thiazoles;
amino acid zwitterion;
sulfur-containing amino acid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(alpha-thenoylamino)-2-nitro-5-thiazole | | 1,3-thiazoles;
C-nitro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-isobutyl-1,3-thiazole | | 1,3-thiazoles | flavouring agent;
Maillard reaction product;
pheromone | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N(4)-acetylsulfathiazole | | 1,3-thiazoles;
acetamides;
sulfonamide | marine xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| disperse blue 124 | | 1,3-thiazoles;
monoazo compound;
tertiary amine | allergen;
dye;
hapten | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thifluzamide | | 1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2-aminoethyl)thiazole | | 1,3-thiazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamethoxam | | 1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane | antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ritonavir | | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xv 638 | | 1,3-thiazoles;
benzamides;
diazepanone;
diol;
secondary alcohol;
secondary carboxamide;
ureas | HIV protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tiazofurin | | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ravuconazole | | 1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles | antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camalexin | | 1,3-thiazoles;
indole phytoalexin | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea | | 1,3-thiazoles;
monochlorobenzenes;
phenylureas;
thiophenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 387032 | | 1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dasatinib | | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefodizime | | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefteram pivoxil | | 1,3-thiazoles;
cephams;
oxime O-ether;
pivaloyloxymethyl ester;
tetrazoles | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cystothiazole a | | 1,3-thiazoles;
biaryl;
enoate ester;
enol ether;
methyl ester;
organonitrogen heterocyclic antibiotic | antifungal agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ceftriaxone | | 1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefetamet pivoxyl | | 1,3-thiazoles;
cephams;
oxime O-ether;
pivaloyloxymethyl ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| famotidine | | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefotaxime | | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| apratoxin a | | 1,3-thiazoles;
apratoxin | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | 1,3-thiazoles;
cephalosporin;
ketoxime | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 1006 | | 1,3-thiazoles;
carbamate ester;
carboxylic acid;
cephalosporin;
enamide;
secondary carboxamide | antibacterial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinalukast | | 1,3-thiazoles;
carboxylic acid | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefditoren pivoxil | | 1,3-thiazoles;
cephams;
oxime O-ether;
pivaloyloxymethyl ester | antibacterial drug;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ixabepilone | | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isavuconazole | | 1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gw 501516 | | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dolastatin 10 | | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ppi-0903 | | 1,3-thiazoles;
cephalosporin;
iminium betaine;
organic phosphoramidate;
oxime O-ether;
thiadiazoles | antibacterial drug;
antimicrobial agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mirabegron | | 1,3-thiazoles;
aromatic amide;
ethanolamines;
monocarboxylic acid amide | beta-adrenergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dysidenin | | 1,3-thiazoles;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide | animal metabolite;
marine metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pateamine a | | 1,3-thiazoles;
macrodiolide;
olefinic compound;
primary amino compound;
tertiary amino compound | antineoplastic agent;
antiviral agent;
eukaryotic initiation factor 4F inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| masitinib | | 1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines | antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethaboxam | | 1,3-thiazoles;
aromatic amide;
aromatic amine;
nitrile;
secondary amino compound;
thiophenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ym 216391 | | 1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide | antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fluensulfone | | 1,3-thiazoles;
olefinic compound;
organochlorine pesticide;
organofluorine pesticide;
sulfone | agrochemical;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | | 1,3-thiazoles;
C-nitro compound;
organic sulfide;
primary amino compound;
thiadiazoles | antibacterial agent;
c-Jun N-terminal kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lcl161 | | 1,3-thiazoles;
aromatic ketone;
L-alanine derivative;
monofluorobenzenes;
N-acylpyrrolidine | antineoplastic agent;
apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cobicistat | | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone | | 1,3-thiazoles;
hydrazone;
monochlorobenzenes | EC 2.3.1.48 (histone acetyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dabrafenib | | 1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mobic | | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxathiapiprolin | | 1,3-thiazoles;
isoxazoline;
N-acylpiperidine;
organofluorine compound;
pyrazoles;
tertiary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| LimKi 3 | | 1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide | LIM kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clothianidin | | 1,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound | environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| althiomycin | | 1,3-thiazoles;
aldoxime;
ether;
gamma-lactam;
pentapeptide;
peptide antibiotic;
primary alcohol;
pyrroline;
secondary carboxamide;
tertiary carboxamide | antibacterial agent;
bacterial metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| clothianidin | | 1,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound | environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| visnagin | | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dronabinol | | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| norsolorinic acid | | polyketide;
tetrahydroxyanthraquinone | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyoluteorin | | aromatic ketone;
beta-hydroxy ketone;
diol;
organochlorine compound;
organochlorine pesticide;
polyketide;
pyrroles;
resorcinols | antibacterial agent;
antifungal agent;
apoptosis inducer;
bacterial metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lovastatin | | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mevastatin | | 2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 154819 | | carbobicyclic compound;
dihydroxy monocarboxylic acid;
fatty acid ester;
polyketide | Aspergillus metabolite;
drug metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin | | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uvaretin | | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delta(9)-tetrahydrocannabinolic acid | | benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide | anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| annomontacin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclacinomycin | | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabidiolic acid | | dihydroxybenzoic acid;
phytocannabinoid;
polyketide;
resorcinols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ml 236a | | 2-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol | antiatherosclerotic agent;
anticholesteremic drug;
antilipemic drug;
antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rubrofusarin B | | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| troleandomycin | | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| squamocin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cefadroxil | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aclarubicin | | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| averufin | | cyclic ketal;
organic heteropentacyclic compound;
polyketide;
polyphenol | fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| olivetolic acid | | benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salinomycin | | polyketide;
spiroketal | animal growth promotant;
potassium ionophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mucocin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pederin | | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benanomicin b | | aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pradimicin b | | aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manumycin | | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| squalestatin 1 | | acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asukamycin | | enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cannabigerolic acid | | dihydroxybenzoic acid;
diterpenoid;
phytocannabinoid;
polyketide;
resorcinols | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fostriecin | | 2-pyranones;
olefinic compound;
phosphate monoester;
polyketide;
primary allylic alcohol;
secondary allylic alcohol;
triol | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
topoisomerase II inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monacolin j | | 2-pyranones;
carbobicyclic compound;
hexahydronaphthalenes;
polyketide;
secondary alcohol | antimicrobial agent;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hypothemycin | | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fr 900848 | | cyclopropanes;
nucleoside analogue;
olefinic compound;
polyketide;
secondary carboxamide | antifungal agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trilobacin | | butenolide;
polyketide;
triol | antineoplastic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspalathin | | C-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol | antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| murisolin | | polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| zaragozic acid c | | acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascin | | alpha,beta-unsaturated ketone;
gamma-lactone;
organic heterotricyclic compound;
polyketide | antilipemic drug;
antineoplastic agent;
fungal metabolite;
PPARgamma agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monascorubrin | | azaphilone;
enone;
gamma-lactone;
polyketide;
triketone | anti-inflammatory agent;
antineoplastic agent;
biological pigment;
food colouring;
fungal metabolite;
Hsp90 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monacolin l | | 2-pyranones;
hexahydronaphthalenes;
polyketide;
secondary alcohol | anticholesteremic drug;
Aspergillus metabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| depudecin | | polyketide | EC 3.5.1.98 (histone deacetylase) inhibitor;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde | | dihydroxybenzaldehyde;
polyketide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bacillaene | | enamine;
monocarboxylic acid amide;
polyene antibiotic;
polyketide;
secondary alcohol | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperfuranone | | 2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone | antineoplastic agent;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pirprofen | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delta(1)-pyrroline | | imine;
pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyrroline | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (1-oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate | | aminoxyls;
pyrroline;
thiosulfonate ester | spin label | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 23121 | | aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myosmine | | pyridine alkaloid;
pyrroline | EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-acetyl-1-pyrroline | | acylimine;
methyl ketone;
pyrroline | flavouring agent;
Maillard reaction product;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-(4-fluorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(3-methoxyanilino)-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester | | pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| streptogramin a | | 1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide | antibacterial drug;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate | | carboxylic acid;
pyrroline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butoctamide succinate | | dicarboxylic acid monoester;
hemisuccinate;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cl 387785 | | bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodipamide | | benzoic acids;
organoiodine compound;
secondary carboxamide | radioopaque medium | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nemonapride | | benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niclosamide | | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd168393 | | acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline | epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pilsicainide | | organic heterobicyclic compound;
secondary carboxamide | anti-arrhythmia drug;
sodium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pj-34 | | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| opc 12759 | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| suramin | | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid | | amidobenzoic acid;
cinnamamides;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acedapsone | | acetamides;
anilide;
secondary carboxamide;
sulfone | antimalarial;
antimicrobial drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salicylurate | | N-acylglycine;
secondary carboxamide | human xenobiotic metabolite;
uremic toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monoacetyldapsone | | acetamides;
anilide;
secondary carboxamide;
sulfone | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-methylolacrylamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| win 18446 | | organochlorine compound;
secondary carboxamide | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carboxin | | anilide fungicide;
anilide;
enamide;
organosulfur heterocyclic compound;
oxacycle;
secondary carboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tromantadine | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aureothricin | | dithiolopyrrolone antibiotic;
secondary carboxamide | angiogenesis inhibitor;
antibacterial agent;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| morphazinamide | | morpholines;
pyrazines;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| amperozide | | diarylmethane;
monofluorobenzenes;
N-alkylpiperazine;
secondary carboxamide;
ureas | anxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetyltryptophanamide | | acetamides;
L-tryptophan derivative;
primary carboxamide;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-glutamyltyrosine | | dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetyldopamine | | acetamides;
catechols;
N-(fatty acyl)-dopamine;
secondary carboxamide | human urinary metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetylcytidine | | acetamides;
cytidines;
secondary carboxamide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| florfenicol | | organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone | antimicrobial agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marimastat | | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-oxohexanoyl)-3-aminodihydro-2(3h)-furanone | | N-acyl homoserine lactone;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mosapride | | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone | | carboxylic ester;
diazo compound;
L-phenylalanine derivative;
secondary carboxamide | cathepsin L (EC 3.4.22.15) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| yh 439 | | aromatic amide;
isopropyl ester;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyc 682 | | nitrile;
nucleoside analogue;
secondary carboxamide | antimetabolite;
antineoplastic agent;
DNA synthesis inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sceptrin | | pyrroles;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(beta)-alanyldopamine | | catechols;
primary amino compound;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monoacetylcadaverine | | acetamides;
N-substituted cadaverine;
primary amino compound;
secondary carboxamide | human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1-phenylethyl)acetamide | | acetamides;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide | | indoles;
secondary carboxamide;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vibriobactin | | 1,3-oxazoles;
secondary carboxamide | siderophore | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bms 195614 | | benzoic acids;
quinolines;
secondary carboxamide | retinoic acid receptor alpha antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tempace | | aminoxyls;
piperidinecarboxamide;
secondary carboxamide | radiation protective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethyloxalylglycine | | glycine derivative;
methyl ester;
secondary carboxamide | EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s 1033 | | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]butanoic acid | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinromide | | cinnamamides;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[2-furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester | | aromatic amide;
furans;
isopropyl ester;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2,2-trifluoro-N-(2-methyl-8-quinolinyl)acetamide | | quinolines;
secondary carboxamide;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | | primary carboxamide;
pyrazines;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester | | aromatic amide;
isopropyl ester;
secondary carboxamide;
thiophenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-2-pyrazinecarboxamide | | pyrazines;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester | | aromatic amide;
isopropyl ester;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide | | morpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide | | monochlorobenzenes;
pyrimidone;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide | | pyrazoles;
secondary carboxamide;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(2-anilino-2-oxoethyl)-2-methoxybenzamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide | | pyrazines;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide | | aminoxyls;
organoiodine compound;
piperidinecarboxamide;
secondary carboxamide | radical scavenger;
spin label | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ANA-12 | | 1-benzothiophenes;
caprolactams;
secondary carboxamide | antidepressant;
anxiolytic drug;
tropomyosin-related kinase B receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-([biphenyl]-2-yl)-3-cyclopentylpropanamide | | biphenyls;
cyclopentanes;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sr 144528 | | bridged compound;
monochlorobenzenes;
pyrazoles;
secondary carboxamide | CB2 receptor antagonist;
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide | | benzodioxoles;
pyridines;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide | | secondary carboxamide;
tertiary carboxamide;
thiophenes;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ML162 | | monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes | EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide | | C-nitro compound;
secondary carboxamide;
tertiary carboxamide;
trifluoroacetamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester | | dimethoxybenzene;
isopropyl ester;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fagaramide | | cinnamamides;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arachidonyl dopamine | | catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-oleoyldopamine | | catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide | TRPV1 agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tranilast | | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arachidonyl-2-chloroethylamide | | fatty amide;
organochlorine compound;
secondary carboxamide;
synthetic cannabinoid | CB1 receptor agonist;
CB2 receptor agonist;
neuroprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l796778 | | benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas | somatostatin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l803087 | | benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide | somatostatin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-cinnamoyltyramine | | cinnamamides;
phenols;
secondary carboxamide | allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ag-490 | | catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide | anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-amylcinnamoylanthranilic acid | | amidobenzoic acid;
cinnamamides;
secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor;
TRP channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| batimastat | | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipercallosidine | | alkaloid;
benzodioxoles;
enamide;
secondary carboxamide | apoptosis inducer;
metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cinanserin | | aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound | anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pepstatin | | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ximelagatran | | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | dicarboxylic acid;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| salubrinal | | aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DPI2 | | benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone | ferroptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| su 1498 | | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-feruloylserotonin | | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oroidin | | pyrroles;
secondary carboxamide | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ro 42-5892 | | cyclopropanes;
diol;
L-histidine derivative;
secondary carboxamide;
sulfone | antihypertensive agent;
EC 3.4.23.15 (renin) inhibitor;
peptidomimetic;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kalimantacin a | | alpha,beta-unsaturated monocarboxylic acid;
carbamate ester;
fatty acid derivative;
secondary carboxamide | antibacterial agent;
antimicrobial agent;
bacterial metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 744832 | | benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mocetinostat | | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l 779976 | | benzimidazoles;
indoles;
piperidinecarboxamide;
primary amino compound;
secondary carboxamide | neuroprotective agent;
somatostatin receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ustiloxin b | | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avenanthramide b | | amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
phytoalexin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd2858 | | aromatic amine;
N-methylpiperazine;
pyrazines;
pyridines;
secondary carboxamide;
sulfonamide | antineoplastic agent;
bone density conservation agent;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bibw 2992 | | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| betrixaban | | benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pha 665752 | | dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide | antineoplastic agent;
c-Met tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-benzylhexadecanamide | | macamide;
secondary carboxamide | EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorantranilipole | | monochlorobenzenes;
organobromine compound;
pyrazole insecticide;
pyrazoles;
pyridines;
secondary carboxamide | ryanodine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cenicriviroc | | aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide | anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| at 7519 | | dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152 | | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pf 00299804 | | enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MI-63 | | azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide | apoptosis inducer | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PF-00835231 | | aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyantraniliprole | | nitrile;
organobromine compound;
organochlorine compound;
pyrazole insecticide;
pyridines;
secondary carboxamide | ryanodine receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| VPC 23019 | | aromatic amide;
D-serine derivative;
organic phosphate;
phosphoric ester;
secondary carboxamide | sphingosine-1-phosphate receptor 1 antagonist;
sphingosine-1-phosphate receptor 3 antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pd 0348292 | | monochlorobenzenes;
monofluorobenzenes;
pyridone;
pyrrolidines;
secondary carboxamide;
ureas | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
serine protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| narlaprevir | | azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas | anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosedostat | | carboxylic ester;
hydroxamic acid;
secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 1152-hqpa | | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| CDN1163 | | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester | | secondary carboxamide;
tert-butyl ester | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester | | secondary carboxamide;
tert-butyl ester;
tertiary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide | | secondary carboxamide | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sid 26681509 | | carbohydrazide;
L-tryptophan derivative;
secondary carboxamide;
tert-butyl ester;
thioester | antiplasmodial drug;
cathepsin L (EC 3.4.22.15) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azd 7545 | | benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sm 164 | | benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sch772984 | | biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide | analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| GRL-0617 | | benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline | anticoronaviral agent;
protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| entrectinib | | benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| TAK-580 | | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cx 5461 | | diazepine;
naphthyridine derivative;
organic heterotetracyclic compound;
pyrazines;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.7.6 (RNA polymerase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| KOM70144 | | acetamides;
benzamides;
naphthalenes;
secondary carboxamide | anticoronaviral agent;
protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monepantel | | (trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide | anthelminthic drug;
nematicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ulixacaltamide | | benzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide | non-narcotic analgesic;
T-type calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| EG00229 | | benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes | angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tak-632 | | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lgk974 | | bipyridines;
pyrazines;
pyridines;
secondary carboxamide | Wnt signalling inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk-5498a | | (trifluoromethyl)benzenes;
difluorobenzene;
pyrazoles;
secondary carboxamide | calcium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | | aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| raltegravir | | 1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide | antiviral drug;
HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lfm a13 | | aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| teriflunomide | | (trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide | drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk1265744 | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dolutegravir | | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MK-8353 | | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acp-196 | | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gsk343 | | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| osimertinib | | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ivosidenib | | cyanopyridine;
monochlorobenzenes;
organofluorine compound;
pyrrolidin-2-ones;
secondary carboxamide;
tertiary carboxamide | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| atogepant | | azaspiro compound;
organic heterotetracyclic compound;
piperidones;
secondary carboxamide;
trifluorobenzene | calcitonin gene-related peptide receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| DDR1-IN-1 | | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bictegravir | | monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene | HIV-1 integrase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| THZ531 | | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AZ3451 | | benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide | anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| MMP-9-IN-1 | | aromatic compound;
organic sulfide;
organofluorine compound;
pyrimidone;
secondary carboxamide | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide | | aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| PF-07304814 | | aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nirmatrelvir | | azabicyclohexane;
nitrile;
organofluorine compound;
pyrrolidin-2-ones;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| buspirone | | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fenspiride | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| avapro | | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mosapramine | | azaspiro compound;
dibenzoazepine;
organochlorine compound;
tertiary amino compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiperone | | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gabapentin-lactam | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tomatidine | | 3beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiramide | | aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| remikiren | | azaspiro compound;
oxaspiro compound;
steroid | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ecteinascidin 743 | | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mdl 72832 | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (3-chloro-1-benzothiophen-2-yl)-[2-(2-chloro-6-methylphenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sorbinil | | azaspiro compound;
chromanes;
imidazolidinone;
organofluorine compound;
oxaspiro compound | antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylpropanolamine | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lycoflexine | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| solasodine | | alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid | anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-3-cyano-5-oxo-1'-spiro[7,8-dihydro-6H-1-benzopyran-4,4'-piperidine]carboxylic acid (phenylmethyl) ester | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2',2'-dimethyl-3-spiro[5,6,7,8a-tetrahydrothiazolo[3,2-a]pyridine-8,4'-thiane]one | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 8-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane | | azaspiro compound;
pyrimido-indole | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-2-benzofuranyl)methanone | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (4-tert-butylphenyl)-[2-(4-fluorophenyl)-8-methyl-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]methanone | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiraprilat | | azaspiro compound;
dicarboxylic acid;
dipeptide;
dithioketal;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
drug metabolite;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sb-224289 | | 1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound | serotonergic antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-ethyl-1H-pyrimidine-2,4-dione | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spirapril | | azaspiro compound;
dicarboxylic acid monoester;
dipeptide;
dithioketal;
ethyl ester;
pyrrolidinecarboxylic acid;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pseurotin | | azaspiro compound;
lactam;
oxaspiro compound | metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rolapitant | | azaspiro compound;
ether;
organofluorine compound;
piperidines;
pyrrolidin-2-ones | antiemetic;
neurokinin-1 receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| esculeoside a | | azaspiro compound;
oxaspiro compound;
saponin;
steroid alkaloid;
steroid saponin | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumiquinazoline c | | azaspiro compound;
fumiquinazoline;
imidazoindole;
organic heteroheptacyclic compound;
oxaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(2,5-dichlorophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-butanone | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-methoxyspirotryprostatin b | | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| derquantel | | azaspiro compound | | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| AZD1979 | | aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes | melanin-concentrating hormone receptor antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| delgocitinib | | azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide | anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ledipasvir | | azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound | antiviral drug;
hepatitis C protease inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asperparaline a | | alkaloid;
azaspiro compound;
dicarboximide | Aspergillus metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| spiroiminodihydantoin | | azaspiro compound | mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| CCT251545 | | azaspiro compound;
chloropyridine;
pyrazoles | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
Wnt signalling inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| liproxstatin-1 | | azaspiro compound;
monochlorobenzenes;
organic heterotricyclic compound;
secondary amino compound | antioxidant;
cardioprotective agent;
ferroptosis inhibitor;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marineosin a | | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| marineosin b | | azaspiro compound;
ether;
macrocycle;
oxaspiro compound;
pyrroles | antineoplastic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| chloroacetic acid | | chlorocarboxylic acid;
haloacetic acid | alkylating agent;
herbicide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethyl sulfoxide | | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2-dimethylhydrazine | | hydrazines | alkylating agent;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| busulfan | | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carmustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorambucil | | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dacarbazine | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| etanidazole | | C-nitro compound;
imidazoles;
monocarboxylic acid amide | alkylating agent;
antineoplastic agent;
prodrug;
radiosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ifosfamide | | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lomustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mechlorethamine | | nitrogen mustard;
organochlorine compound | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl methanesulfonate | | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pipobroman | | N-acylpiperazine;
organobromine compound;
tertiary carboxamide | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| semustine | | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iodoacetic acid | | haloacetic acid;
organoiodine compound | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| temozolomide | | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitomycin | | mitomycin | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triethylenemelamine | | 1,3,5-triazines | alkylating agent;
insect sterilant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethylmyleran | | methanesulfonate ester | alkylating agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethyl methanesulfonate | | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethyl sulfate | | alkyl sulfate | alkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| triaziquone | | 1,4-benzoquinones;
aziridines | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromoethane | | bromoalkane;
bromohydrocarbon;
volatile organic compound | alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethyl sulfate | | alkyl sulfate | alkylating agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acrylamide | | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trimethyl phosphite | | organophosphorus compound | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aziridine | | azacycloalkane;
aziridines;
saturated organic heteromonocyclic parent | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diazomethane | | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mustard gas | | ethyl sulfide;
organochlorine compound | alkylating agent;
carcinogenic agent;
vesicant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bis(chloromethyl) ether | | ether;
organochlorine compound | alkylating agent;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylnitrosourea | | N-nitrosoureas | alkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylnitrosourea | | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mitomycin a | | ether;
mitomycin | alkylating agent;
antimicrobial agent;
antineoplastic agent;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclophosphamide | | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| perfosfamide | | nitrogen mustard;
organochlorine compound;
peroxol;
phosphorodiamide | alkylating agent;
antineoplastic agent;
drug allergen;
immunosuppressive agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nimustine | | aminopyrimidine;
N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diaziquone | | 1,4-benzoquinones;
aziridines;
carbamate ester;
enamine | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| bromopyruvate | | 2-oxo monocarboxylic acid;
organobromine compound;
oxo carboxylic acid | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-(3-methyl-1-triazeno)imidazole-4-carboxamide | | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylenimine quinone | | 1,4-benzoquinones;
aziridines | alkylating agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxycyclophosphamide | | nitrogen mustard;
organochlorine compound;
phosphorodiamide | alkylating agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ecteinascidin 743 | | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-chloromethylglutathione | | organochlorine compound;
S-substituted glutathione | alkylating agent;
bacterial xenobiotic metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dehydroalanine | | 2,3-dehydroamino acid;
alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion;
enamine;
non-proteinogenic alpha-amino acid | alkylating agent;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nsc 224070 | | 1,4-benzoquinones;
aziridines;
enamine;
primary alcohol;
secondary amino compound | alkylating agent;
antineoplastic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| estramustine | | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hycanthone methanesulfonate | | methanesulfonate salt | alkylating agent;
mutagen;
schistosomicide drug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tosylphenylalanyl chloromethyl ketone | | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| melphalan | | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylnitronitrosoguanidine | | nitroso compound | alkylating agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tilimycin | | phenols;
pyrrolobenzodiazepine | alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| monoisopropanolamine | | amino alcohol;
secondary alcohol | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydro-3-coumaric acid | | monocarboxylic acid | Escherichia coli metabolite;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-mercaptopyruvic acid | | 2-oxo monocarboxylic acid;
thiol | antidote to cyanide poisoning;
Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-aminobutyraldehyde | | aminobutanal;
omega-aminoaldehyde | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminolevulinic acid | | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,6,7,8-tetrahydropteridine | | pteridines | cofactor;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetaldehyde | | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetyl phosphate | | acyl monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenine | | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| agmatine | | guanidines;
primary amino compound | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allantoin | | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aminoacetone | | methyl ketone;
propanones | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arsenic acid | | arsenic oxoacid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| betaine aldehyde | | quaternary ammonium ion | Aspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butyraldehyde | | butanals | biomarker;
Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cadaverine | | alkane-alpha,omega-diamine | Daphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbamic acid | | carbon oxoacid;
one-carbon compound;
organonitrogen compound | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carbamyl phosphate | | acyl monophosphate;
one-carbon compound | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ureidosuccinic acid | | aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| choline | | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorine | | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coproporphyrinogen iii | | coproporphyrinogen | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-aminoacetaldehyde | | amino aldehyde;
omega-aminoaldehyde | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-diaminopropionic acid | | alanine derivative;
amino acid zwitterion;
beta-amino acid;
diamino acid;
non-proteinogenic alpha-amino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| octanoic acid | | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrogen sulfide | | gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride | Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxaluric acid | | 2-oxo monocarboxylic acid;
ureas | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1)-acetylspermidine | | acetylspermidine | Escherichia coli metabolite;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propionaldehyde | | alpha-CH2-containing aldehyde;
propanals | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphoglycolate | | carboxyalkyl phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrogen selenide | | mononuclear parent hydride;
selenium hydride | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytosine | | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,3-dimethylallyl pyrophosphate | | prenol phosphate | epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydrouracil | | pyrimidone | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diacetyl | | alpha-diketone | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydroxyacetone phosphate | | glycerone phosphates;
primary alpha-hydroxy ketone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydroxyacetone | | ketotriose;
primary alpha-hydroxy ketone | antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4-dihydroxy-2-naphthoic acid | | dihydroxy monocarboxylic acid;
naphthalenediols;
naphthohydroquinone;
naphthoic acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,6-dimethylbenzimidazole | | dimethylbenzimidazole | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethanolamine | | ethanolamines;
primary alcohol;
primary amine | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formaldehyde | | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-butyrobetaine | | amino-acid betaine | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycerol | | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glyoxylic acid | | 2-oxo monocarboxylic acid;
aldehydic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrogen cyanide | | hydracid;
one-carbon compound | Escherichia coli metabolite;
human metabolite;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydrogen carbonate | | carbon oxoanion | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| toxopyrimidine | | aminopyrimidine;
aromatic primary alcohol | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiocyanic acid | | hydracid;
one-carbon compound;
organosulfur compound | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroquinone | | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxymethylbilane | | bilanes | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iminoaspartic acid | | aspartic acid derivative;
C4-dicarboxylic acid;
ketimine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| indole | | indole;
polycyclic heteroarene | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lipoamide | | dithiolanes;
monocarboxylic acid amide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| racemethionine | | alpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid | algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyruvaldehyde | | 2-oxo aldehyde;
propanals | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methanol | | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niacinamide | | pyridine alkaloid;
pyridinecarboxamide;
vitamin B3 | anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| niacin | | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxypyruvic acid | | 2-oxo monocarboxylic acid;
3-hydroxy monocarboxylic acid;
primary alpha-hydroxy ketone | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orotic acid | | pyrimidinemonocarboxylic acid | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxamic acid | | dicarboxylic acid monoamide | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-aminobenzoic acid | | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylacetaldehyde | | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylacetic acid | | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenethylamine | | alkaloid;
aralkylamine;
phenylethylamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| porphobilinogen | | aralkylamino compound;
dicarboxylic acid;
pyrroles | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diphosphoric acid | | acyclic phosphorus acid anhydride;
phosphorus oxoacid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| prephenic acid | | oxo dicarboxylic acid | Escherichia coli metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxal | | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxal phosphate | | methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate | coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxamine | | aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxamine phosphate | | aminoalkylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxine | | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxine 5-phosphate | | vitamin B6 phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| quinolinic acid | | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimethyl sulfide | | aliphatic sulfide | algal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sarcosine | | N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines | Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| succinic semialdehyde | | aldehydic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfur dioxide | | sulfur oxide | Escherichia coli metabolite;
food bleaching agent;
refrigerant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tartronate semialdehyde | | 2-hydroxy monocarboxylic acid;
3-oxo monocarboxylic acid;
aldehyde | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| taurine | | amino sulfonic acid;
zwitterion | antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamine | | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymine | | pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-(4-methyl-1,3-thiazol-5-yl)ethanol | | 1,3-thiazoles;
primary alcohol | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trimethyloxamine | | tertiary amine oxide | Escherichia coli metabolite;
metabolite;
osmolyte | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trimethylamine | | methylamines;
tertiary amine | Escherichia coli metabolite;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uracil | | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uric acid | | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| urea | | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uroporphyrinogen iii | | uroporphyrinogen | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isopentenyl pyrophosphate | | prenol phosphate | antigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-glycerophosphoric acid | | glycerol monophosphate | Escherichia coli metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-cresol | | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-aminobenzoic acid | | aminobenzoate;
aromatic amino-acid anion | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tyramine | | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sorbitol | | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymidine | | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| serine | | L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloramphenicol | | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aspartic acid | | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutamine | | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lysine | | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sucrose | | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uridine monophosphate | | pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uridine diphosphate | | pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galactose | | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leucine | | amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytidine monophosphate | | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytidine diphosphate | | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uridine triphosphate | | pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylalanine | | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytidine | | cytidines | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cytidine triphosphate | | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mannitol | | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| asparagine | | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| histidine | | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| valine | | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| threonine | | amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tryptophan | | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| isoleucine | | aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arginine | | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methanesulfonic acid | | alkanesulfonic acid;
one-carbon compound | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphoribosyl pyrophosphate | | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trehalose | | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetol | | methyl ketone;
primary alcohol;
primary alpha-hydroxy ketone;
propanones | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| framycetin | | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| shikimic acid | | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| citrulline | | amino acid zwitterion;
citrulline | Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphoadenosine phosphosulfate | | acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine phosphosulfate | | acyl monophosphate;
acyl sulfate;
adenosine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pyridoxamine dihydrochloride | | hydrochloride;
vitamin B6 | Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galactitol | | hexitol | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chorismic acid | | 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| homoserine | | amino acid zwitterion;
homoserine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxycytidine | | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyuridine | | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyadenosine | | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxycytidine monophosphate | | 2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nicotinamide mononucleotide | | nicotinamide mononucleotide | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyadenosine triphosphate | | 2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fucose | | fucopyranose;
L-fucose | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| uridine diphosphate glucuronic acid | | UDP-D-glucuronic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,3,4-butanetriol | | triol | bacterial xenobiotic metabolite;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diadenosine tetraphosphate | | diadenosyl tetraphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| d-glutamate | | D-alpha-amino acid;
glutamic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| manganese | | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| silver | | copper group element atom;
elemental silver | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| molybdate ion | | divalent inorganic anion;
molybdenum oxoanion | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| myrmicacin | | 3-hydroxy fatty acid;
medium-chain fatty acid | antimitotic;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphotyrosine | | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine | Escherichia coli metabolite;
immunogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutamic acid | | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine diphosphate ribose | | ADP-sugar | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetylgalactosamine | | N-acetyl-D-hexosamine;
N-acetylgalactosamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphopantothenic acid | | amidoalkyl phosphate | Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| d-lactic acid | | 2-hydroxypropanoic acid | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthosine | | purines D-ribonucleoside;
xanthosines | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymidine 5'-triphosphate | | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate;
thymidine phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyuridylic acid | | deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyuridine triphosphate | | deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxycytidine 5'-triphosphate | | 2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aica ribonucleotide | | 1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole | cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutathione disulfide | | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-(3-aminopropyl)cadaverine | | polyazaalkane;
triamine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-cmp | | cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydracrylic acid | | 3-hydroxy monocarboxylic acid;
omega-hydroxy-short-chain fatty acid | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| plasmenylserine | | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cifostodine | | 2',3'-cyclic pyrimidine nucleotide | Escherichia coli metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ubiquinone-o | | ubiquinones | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| D-serine | | D-alpha-amino acid;
serine zwitterion;
serine | Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| D-alanine | | alanine zwitterion;
alanine;
D-alpha-amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| D-tyrosine | | D-alpha-amino acid zwitterion;
D-alpha-amino acid;
tyrosine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthosine 5'-triphosphate | | purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucose-1,6-bisphosphate | | D-glucose 1,6-bisphosphate | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| coenzyme a | | adenosine 3',5'-bisphosphate | coenzyme;
Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| succinyl-coenzyme a | | omega-carboxyacyl-CoA | Escherichia coli metabolite;
inhibitor;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| L-2-aminoadipic acid | | 2-aminoadipic acid | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetoacetyl coa | | 3-oxo-fatty acyl-CoA | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propionyl-coenzyme a | | acyl-CoA | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| stearoyl-coenzyme a | | 11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-uridylic acid | | pyrimidine ribonucleoside 3'-monophosphate;
uridine phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2',3'-cyclic amp | | 2',3'-cyclic purine nucleotide | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,5-diketogluconic acid | | diketoaldonic acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| l-lactic acid | | (2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| selenodiglutathione | | glutathione derivative;
thioselenide | Escherichia coli metabolite;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-deoxyglucose-6-phosphate | | deoxyaldohexose phosphate | Escherichia coli metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,4-dihydroxyphenylacetaldehyde | | alpha-CH2-containing aldehyde;
catechols;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| protoporphyrinogen | | porphyrinogens | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymidine diphosphate-l-rhamnose | | dTDP-L-rhamnose | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butyryl-coenzyme a | | butanoyl-CoAs | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trehalose-6-phosphate | | trehalose phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erythrose 4-phosphate | | erythrose phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribulose-1,5 diphosphate | | ribulose phosphate | Escherichia coli metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(8)-acetylspermidine | | acetylspermidine | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aerobactin | | L-lysine derivative | Escherichia coli metabolite;
siderophore;
virulence factor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lipid x | | N-acyl-D-glucosamine 1-phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| galactose-1-phosphate | | alpha-D-hexose 1-phosphate;
D-galactopyranose 1-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-glutamylcysteine | | gamma-glutamylcysteine | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutamate-1-semialdehyde | | 5-oxo monocarboxylic acid;
amino acid zwitterion;
gamma-amino acid;
glutamic semialdehyde | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| mannitol-1-phosphate | | alditol 1-phosphate;
hexitol phosphate | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proline | | amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid | algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxycytidine diphosphate | | 2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| o-phosphohomoserine | | O-phosphorylhomoserine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribulose | | ribulose | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,3-dihydroxybenzoylserine | | L-serine derivative | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sorbitol 6-phosphate | | alditol 6-phosphate;
glucitol phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beta-aspartyl phosphate | | aminoacyl phosphate;
L-aspartic acid derivative;
non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| adenosine 3'-phosphate-5'-phosphate | | adenosine bisphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| alpha-ribazole | | 1-ribosylbenzimidazole;
dimethylbenzimidazole | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| abrine | | L-tryptophan derivative;
N-methyl-L-alpha-amino acid zwitterion;
N-methyl-L-alpha-amino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| orotidylic acid | | pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-deoxy-d-arabino-heptulosonate-7-phosphate | | ketoaldonic acid phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| saicar | | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(6)-(n-threonylcarbonyl)adenosine | | L-threonine derivative;
N-(adenosin-N(6)-ylcarbonyl)threonine | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thymidine 5'-diphosphate | | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate;
thymidine phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sedoheptulose 1,7-bisphosphate | | ketoheptose phosphate;
sedoheptulose derivative | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sedoheptulose 7-phosphate | | ketoheptose phosphate;
sedoheptulose derivative | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| histidinol | | amino alcohol;
imidazoles | EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| carboxyaminoimidazole ribotide | | 1-(phosphoribosyl)imidazole;
aminoimidazole;
imidazole-4-carboxylic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lauroyl-coenzyme a | | medium-chain fatty acyl-CoA | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nicotinic acid adenine dinucleotide | | nicotinic acid dinucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenylacetyl-coenzyme a | | acyl-CoA | Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-formamidoimidazole-4-carboxamide ribotide | | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6,7-dimethyl-8-ribityllumazine, (d)-isomer | | pteridines | cofactor;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| biotin | | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucosamine 1-phosphate | | glucosamine phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyadenosine triphosphate | | 2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9-mercaptodethiobiotin | | imidazolidinone;
monocarboxylic acid;
thiol;
ureas | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| idonic acid | | idonic acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gamma-glutamyl phosphate | | gamma-glutamyl phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione | | aminouracil;
hydroxypyrimidine | Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxythreonine | | amino acid zwitterion;
hydroxy-amino acid;
L-threonine derivative;
non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1)-((5'-phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide | | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-oxo-3-deoxygalactonic acid | | hexonic acid;
ketoaldonic acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5'-methylthioadenosine | | thioadenosine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5'-deoxyadenosine | | 5'-deoxyribonucleoside;
adenosines | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xylulose-5-phosphate, (d)-isomer | | xylulose 5-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycerate 1,3-biphosphate | | 2,3-bisphosphoglyceric acid;
acyl monophosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arabinose | | L-arabinose | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glucosamine | | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribose 1-phosphate | | D-ribose 1-phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diaminopimelic acid | | 2,6-diaminopimelic acid;
amino acid zwitterion | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthosine 5'-triphosphate | | purine ribonucleoside 5'-triphosphate;
xanthosine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-dehydroquinic acid | | 2-hydroxy monocarboxylic acid;
4-hydroxy monocarboxylic acid;
4-oxo monocarboxylic acid;
5-hydroxy monocarboxylic acid;
secondary alpha-hydroxy ketone | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| o-succinylhomoserine | | hemisuccinate;
o-succinylhomoserine | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-adenosyl-3-methylthiopropylamine | | adenosines;
sulfonium compound | Escherichia coli metabolite;
human urinary metabolite;
mouse metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 6-phosphonoglucono-delta-lactone | | aldonolactone phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cysteinylglycine | | dipeptide zwitterion;
dipeptide | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tartaric acid | | tartaric acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-ribosyl-l-homocysteine | | S-(5-deoxy-D-ribos-5-yl)-L-homocysteine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxyphenylacetaldehyde | | alpha-CH2-containing aldehyde;
phenylacetaldehydes | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii) | | diadenosyl pentaphosphate | Escherichia coli metabolite;
vasoconstrictor agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-acetylglucosamine-1-phosphate | | N-acetyl-D-glucosamine 1-phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| pantothenylcysteine 4'-phosphate | | L-cysteine derivative | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glutathionylspermidine | | glutathione derivative | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arbutin | | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-c-methylerythritol 4-phosphate | | tetritol phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-deoxy-d-xylulose 5-phosphate | | xylulose phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| c(alpha)-formylglycine | | 3-oxoalanine;
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dephosphocoenzyme a | | adenosine 5'-phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole | | 1-ribosylbenzimidazole;
dimethylbenzimidazole;
ribose monophosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ribothymidine | | methyluridine | antigen;
Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| palmitoleic acid | | hexadec-9-enoic acid | algal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oleic acid | | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| farnesyl pyrophosphate | | farnesyl diphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| geranyl pyrophosphate | | polyprenyl diphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,5-dihydro-fad | | flavin adenine dinucleotide | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-hydroxymethylglutathione | | S-substituted glutathione | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexanoyl-coenzyme a | | medium-chain fatty acyl-CoA | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-phosphoerythronate | | 4-phosphoerythronic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| riboflavin | | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| flavin-adenine dinucleotide | | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| malonyl coenzyme a | | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sucrose-6-phosphate | | disaccharide phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| palmitoyl coenzyme a | | 11,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| glycerylphosphorylcholine | | phosphocholines;
sn-glycerol 3-phosphates | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cysteine sulfinic acid | | organosulfinic acid;
S-substituted L-cysteine | Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fusidic acid | | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| iminoglycine | | dehydroamino acid;
imine;
zwitterion | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-keto-3-deoxy-6-phosphogluconate | | ketoaldonic acid phosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| formyl-coenzyme a | | acyl-CoA | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-deoxy-2-octulosonic acid(2)-lipid iv(a) | | lipid As | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphothreonine | | L-threonine derivative;
non-proteinogenic L-alpha-amino acid;
O-phosphoamino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| maleamic acid | | alpha,beta-unsaturated monocarboxylic acid;
dicarboxylic acid monoamide | bacterial xenobiotic metabolite;
Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| retinol palmitate | | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| canthaxanthin | | carotenone | biological pigment;
Escherichia coli metabolite;
food colouring;
fungal metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (e)-4-hydroxy-3-methylbut-2-enyl diphosphate | | prenol phosphate | epitope;
Escherichia coli metabolite;
phosphoantigen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| menaquinone 7 | | menaquinone | bone density conservation agent;
cofactor;
Escherichia coli metabolite;
human blood serum metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xylulose | | xylulose | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vitamin mk 8 | | menaquinone | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-ketogluconic acid | | hexonic acid;
ketoaldonic acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oleoyl-coenzyme a | | octadecenoyl-CoA | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| menaquinone 9 | | menaquinone | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| allolactose | | glycosylglucose | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fuculose | | deoxyketohexose | Escherichia coli metabolite;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-deoxy-2-pentulose | | deoxypentose | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fructosyl-lysine | | fructosamine;
glyco-amino acid | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lipid a | | dodecanoate ester;
lipid A;
tetradecanoate ester | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methionine sulfoxide | | amino acid zwitterion;
L-methionine S-oxide | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| (S)-4,5-dihydroxypentane-2,3-dione | | alpha-diketone;
secondary alpha-hydroxy ketone | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| kdo2-lipid a | | dodecanoate ester;
lipid As;
tetradecanoate ester | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| oxalyl-coenzyme a | | omega-carboxyacyl-CoA | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| s-tetradecanoyl-coenzyme a | | 11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| novobiocin | | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclic gmp | | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diguanosine tetraphosphate | | guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyguanosine | | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyinosine | | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyguanosine 5'-phosphate | | deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyguanosine triphosphate | | deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 7,8-dihydroneopterin | | dihydropterin;
neopterins | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydrofolate | | dihydrofolic acids | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dihydroneopterin triphosphate | | dihydropterin;
neopterins;
pterin phosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| deoxyinosine monophosphate | | deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2'-deoxyinosine triphosphate | | deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine diphosphate | | guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gdp-4-keto-6-deoxymannose | | GDP-sugar | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine diphosphate mannose | | GDP-D-mannose | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine pentaphosphate | | guanosine 5'-phosphate;
guanosine bisphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine monophosphate | | guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate | biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine triphosphate | | guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanine | | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| guanosine tetraphosphate | | guanosine bisphosphate | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| inosinic acid | | inosine phosphate;
purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| inosine | | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| inosine triphosphate | | inosine phosphate;
purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| queuine | | pyrrolopyrimidine | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3'-guanylic acid | | guanosine 3'-phosphate;
purine ribonucleoside 3'-monophosphate | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2',3'-cyclic gmp | | 2',3'-cyclic purine nucleotide | Escherichia coli metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| rifampin | | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| leucovorin | | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5,10-methenyltetrahydrofolate | | methylenetetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 10-formyltetrahydrofolate | | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| catechol | | catechols | allelochemical;
genotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ebselen | | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethoxyquin | | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hydroxyurea | | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methyl parathion | | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-anisidine | | monomethoxybenzene;
primary amino compound;
substituted aniline | genotoxin;
reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-naphthol | | naphthol | genotoxin;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-anisidine | | methoxybenzenes;
primary amino compound;
substituted aniline | genotoxin;
reagent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-naphthol | | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| estragole | | alkenylbenzene;
monomethoxybenzene;
phenylpropanoid | carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acridines | | acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene | genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| erythropoietin | | dinitronaphthalene | genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,6-dinitrotoluene | | dinitrotoluene | genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-dichlorofluoromethylthio-n',n'-dimethyl-n-p-tolylsulfamide | | organochlorine compound;
organofluorine compound;
phenylsulfamide fungicide;
sulfamides | antifungal agrochemical;
genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-pentene-3-one | | enone | flavouring agent;
genotoxin;
human metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| camptothecin | | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| arsenic trichloride | | arsenic molecular entity;
pnictogen halide | genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beryllium chloride | | beryllium molecular entity;
inorganic chloride | carcinogenic agent;
genotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cadmium nitrate | | cadmium salt;
inorganic nitrate salt | carcinogenic agent;
genotoxin;
hepatotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline | | aromatic amine;
imidazoquinoxaline | carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidacloprid | | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | | hydroxylamine;
imidazopyridine | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| paxilline | | diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol | anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzo(a)pyrene-7,8-dione | | orthoquinones;
pyrenes | genotoxin;
xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| riddelliine | | macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid | carcinogenic agent;
genotoxin;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cisplatin | | diamminedichloroplatinum | antineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| riddelliine n-oxide | | diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzamidoxime | | amidoxime | bacterial metabolite;
genotoxin;
mammalian metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidacloprid | | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| imidacloprid | | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzene | | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nitropropane | | secondary nitroalkane | carcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| naphthalene | | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | | imidazopyridine;
primary amino compound | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3-methylcholanthrene | | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid i | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| azathioprine | | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzo(a)pyrene | | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ddt | | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methapyrilene | | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| patulin | | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenazopyridine | | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sulfamethazine | | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-acetylaminofluorene | | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethylnitrosamine | | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-nitroquinoline-1-oxide | | C-nitro compound;
quinoline N-oxide | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dimazine | | hydrazines | carcinogenic agent;
fuel;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 9,10-dimethyl-1,2-benzanthracene | | ortho-fused polycyclic arene;
tetraphenes | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-nitrosomorpholine | | nitrosamine | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chloroform | | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexachloroethane | | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vinyl chloride | | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methylene chloride | | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| vinylidene chloride | | chloroethenes | carcinogenic agent;
mouse metabolite;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| trichloroacetic acid | | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acriflavine chloride | | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,6-xylidine | | dimethylaniline;
primary arylamine | carcinogenic agent;
drug metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,4,6-trichlorophenol | | trichlorophenol | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nitrotoluene | | mononitrotoluene | carcinogenic agent;
environmental contaminant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-methylnaphthalene | | methylnaphthalene | carcinogenic agent;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nitroanisole | | 2-nitroanisoles | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-naphthylamine | | naphthylamine | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| proflavine | | aminoacridines | antibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-biphenylamine | | aminobiphenyl | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzidine | | biphenyls;
substituted aniline | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-toluidine | | aminotoluene | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzotrichloride | | benzenes;
organochlorine compound;
volatile organic compound | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzoyl chloride | | acyl chloride;
benzenes | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-nitrosopiperidine | | nitrosamine;
piperidine | apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4,4'-diaminodiphenylmethane | | aromatic amine | allergen;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-vinyl-1-cyclohexene dioxide | | epoxide | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethylene dibromide | | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,3-butadiene | | butadiene | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acrylonitrile | | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| furan | | furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | carcinogenic agent;
hepatotoxic agent;
Maillard reaction product | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| chlorendic acid | | bridged compound;
dicarboxylic acid;
organochlorine compound | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| hexachlorobenzene | | aromatic fungicide;
chlorobenzenes | antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methapyrilene hydrochloride | | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phenazopyridine hydrochloride | | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrilotriacetic acid | | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| benzo(e)pyrene | | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| perfluorooctanoic acid | | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methylcatechol | | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,2-naphthoquinone | | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| malachite green | | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-nitrofluorene | | nitroarene | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2,6-dichlorobenzoquinone | | 1,4-benzoquinones;
organochlorine compound | carcinogenic agent;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-methylimidazole | | imidazoles | carcinogenic agent;
reaction intermediate | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beryllium oxide | | beryllium molecular entity;
metal oxide | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,5-naphthalenediamine | | naphthalenediamine | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 5-methoxyindoleacetic acid | | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butylhydroxybutylnitrosamine | | nitrosamine;
primary alcohol | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1-nitropyrene | | nitroarene | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| acetoxyacetylaminofluorene | | 2-acetamidofluorenes | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrosocarbaryl | | carbamate ester;
naphthalenes;
nitroso compound | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| phosphine | | mononuclear parent hydride;
phosphanes;
phosphine | carcinogenic agent;
fumigant insecticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| lead chromate | | chromium coordination entity;
lead coordination entity | carcinogenic agent;
nephrotoxin;
neurotoxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium chromate(vi) | | inorganic sodium salt | carcinogenic agent;
diagnostic agent;
oxidising agent;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| potassium chromate(vi) | | potassium salt | carcinogenic agent;
oxidising agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ethionine | | S-ethylhomocysteine | antimetabolite;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-ethyl-n-hydroxyethylnitrosamine | | nitrosamine;
primary alcohol | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-amyl-n-methylnitrosamine | | nitrosamine | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-nitrososarcosine | | nitrosamine;
non-proteinogenic amino acid derivative | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ferric nitrilotriacetate | | iron chelate | carcinogenic agent;
mutagen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| tetradecanoylphorbol acetate | | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 1,4-dioxane | | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| butyl(3-carboxypropyl)nitrosamine | | monocarboxylic acid;
nitrosamine | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diisopropanolnitrosamine | | diol;
nitrosamine;
secondary alcohol | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| nitrosobis(2-oxopropyl)amine | | ketone;
nitrosamine | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-amino-3-methylimidazo(4,5-f)quinoline | | imidazoquinoline | carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| musk xylene | | C-nitro compound | carcinogenic agent;
explosive;
fragrance | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| scarlet red | | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sudan iii | | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| xanthurenic acid 8-methyl ether | | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| n-hydroxy-4-aminobiphenyl | | aminobiphenyl;
N-substituted amine | carcinogenic agent;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aflatoxin q1 | | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | | nitrosamine;
pyridines;
secondary alcohol | biomarker;
carcinogenic agent;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| thiamethoxam | | 1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane | antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid ii | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ponceau mx | | azobenzenes;
naphthalenesulfonic acid;
naphthols | carcinogenic agent;
cardiotoxic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid D | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| methanearsonous acid | | arsonous acids;
one-carbon compound | carcinogenic agent;
human xenobiotic metabolite;
poison | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aristolochic acid c | | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aflatoxin b1 | | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 2-hydroxyestradiol | | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| ochratoxin a | | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| sodium arsenite | | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| diethylstilbestrol | | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| versicolorin a | | cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol | Aspergillus metabolite;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| propylthiouracil | | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| captax | | aryl thiol;
benzothiazoles | carcinogenic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| dieldrin | | epoxide;
organochlorine compound;
organochlorine insecticide | carcinogenic agent;
xenobiotic | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumonisin b1 | | diester;
fumonisin;
primary amino compound;
triol | carcinogenic agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| fumonisin b2 | | diester;
diol;
fumonisin;
primary amino compound | Aspergillus metabolite;
carcinogenic agent | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| cyclosporine | | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| beryllium | | alkaline earth metal atom;
elemental beryllium;
metal allergen | adjuvant;
carcinogenic agent;
epitope | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| gw 501516 | | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 4-hydroxyestrone | | 17-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid | carcinogenic agent;
estrogen;
human urinary metabolite | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| debromoaplysiatoxin | | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| aplysiatoxin | | aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist | 0 | 0 | | low | 0 | 0 | 0 | 0 | 0 | 0 |
| Condition | Indicated | Studies | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|
| Abnormalities, Autosome | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 2 |
| Acute Bacterial Prostatitis | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Adenoma | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Adenoma, Basal Cell | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Adenomatous Polyposis Coli | 0 | | 2018 | 2020 | 5.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| Adenomatous Polyposis Coli, Familial | 0 | | 2018 | 2020 | 5.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| Atrophy | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Bacteremia | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Bacterial Disease | 0 | | 2016 | 2021 | 5.5 | low | 0 | 0 | 0 | 0 | 1 | 1 |
| Bacterial Infections | 0 | | 2016 | 2021 | 5.5 | low | 0 | 0 | 0 | 0 | 1 | 1 |
| Bacterial Meningitides | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Benign Neoplasms | 0 | | 2011 | 2022 | 6.2 | low | 0 | 0 | 0 | 0 | 3 | 2 |
| Blood Poisoning | 0 | | 2013 | 2023 | 7.0 | low | 0 | 0 | 0 | 0 | 3 | 1 |
| Cancer of Colon | 0 | | 2013 | 2023 | 6.4 | low | 0 | 0 | 0 | 0 | 10 | 3 |
| Cancer of Mouth | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Cancer of Prostate | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Cancer of Rectum | 0 | | 2022 | 2022 | 2.0 | low | 2 | 0 | 0 | 0 | 0 | 2 |
| Carcinogenesis | 0 | | 2014 | 2023 | 4.9 | low | 0 | 0 | 0 | 0 | 6 | 4 |
| Carcinoma | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Carcinoma, Anaplastic | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Carcinoma, Epidermoid | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Carcinoma, Squamous Cell | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Cell Transformation, Neoplastic | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Cholera | 0 | | 2022 | 2022 | 2.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Colitis | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Colitis Gravis | 0 | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Colitis, Ulcerative | 0 | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Colonic Neoplasms | 0 | | 2013 | 2023 | 6.4 | low | 0 | 0 | 0 | 0 | 10 | 3 |
| Colorectal Cancer | 0 | | 2011 | 2023 | 4.1 | medium | 0 | 0 | 0 | 0 | 15 | 12 |
| Colorectal Neoplasms | 0 | | 2011 | 2023 | 4.1 | medium | 0 | 0 | 0 | 0 | 15 | 12 |
| Condition, Preneoplastic | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Cronobacter Infections | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Diathesis | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Disbacteriosis | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Disease Models, Animal | 0 | | 2015 | 2022 | 5.5 | low | 0 | 0 | 0 | 0 | 3 | 3 |
| Diseases, Metabolic | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| E coli Infections | 0 | | 2007 | 2022 | 5.6 | medium | 2 | 0 | 0 | 1 | 16 | 11 |
| Enterobacteriaceae Infections | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Escherichia coli Infections | 0 | | 2007 | 2022 | 5.6 | medium | 2 | 0 | 0 | 1 | 16 | 11 |
| Escherichia coli Meningitis | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Experimental Neoplasms | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Genome Instability | 0 | | 2011 | 2016 | 10.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| Helicobacter Infections | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Hyperplasia | 0 | | 2023 | 2023 | 1.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Infection, Wound | 0 | | 2022 | 2022 | 2.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Infections, Helicobacter | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Infections, Klebsiella | 0 | | 2014 | 2023 | 6.0 | low | 0 | 0 | 0 | 0 | 2 | 1 |
| Inflammation | 0 | | 2011 | 2011 | 13.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Innate Inflammatory Response | 0 | | 2011 | 2011 | 13.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Intestinal Polyps | 0 | | 2017 | 2017 | 7.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Klebsiella Infections | 0 | | 2014 | 2023 | 6.0 | low | 0 | 0 | 0 | 0 | 2 | 1 |
| Liver Abscess, Pyogenic | 0 | | 2014 | 2018 | 8.0 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| Lymphocytopenia | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Lymphopenia | 0 | | 2014 | 2014 | 10.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Meningitis | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Meningitis, Bacterial | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Metabolic Diseases | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Mouth Neoplasms | 0 | | 2020 | 2020 | 4.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Neoplasms | 0 | | 2011 | 2022 | 6.2 | low | 0 | 0 | 0 | 0 | 3 | 2 |
| Pachymeningitis | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Poultry Diseases | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Precancerous Conditions | 0 | | 2018 | 2018 | 6.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Pregnancy | 0 | | 2015 | 2020 | 6.5 | low | 0 | 0 | 0 | 0 | 2 | 0 |
| Prostatic Neoplasms | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Prostatitis | 0 | | 2021 | 2021 | 3.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
| Rectal Neoplasms | 0 | | 2022 | 2022 | 2.0 | low | 2 | 0 | 0 | 0 | 0 | 2 |
| Salmonella Infections, Animal | 0 | | 2019 | 2019 | 5.0 | low | 0 | 0 | 0 | 0 | 1 | 0 |
| Sepsis | 0 | | 2013 | 2023 | 7.0 | low | 0 | 0 | 0 | 0 | 3 | 1 |
| Urinary Tract Infections | 0 | | 2018 | 2021 | 4.3 | low | 0 | 0 | 0 | 0 | 2 | 1 |
| Vibrio cholerae Infection | 0 | | 2022 | 2022 | 2.0 | low | 0 | 0 | 0 | 0 | 0 | 1 |
The microbial genotoxin colibactin exacerbates mismatch repair mutations in colorectal tumors.Neoplasia (New York, N.Y.), , Volume: 43, 2023
Genomic aberrations after short-term exposure to colibactin-producing E. coli transform primary colon epithelial cells.Nature communications, , 02-12, Volume: 12, Issue:1, 2021
Oligosaccharides increase the genotoxic effect of colibactin produced by pks+ Escherichia coli strains.BMC cancer, , Feb-17, Volume: 21, Issue:1, 2021
Colibactin-positive Escherichia coli induce a procarcinogenic immune environment leading to immunotherapy resistance in colorectal cancer.International journal of cancer, , 06-01, Volume: 146, Issue:11, 2020
The Polyphosphate Kinase of Escherichia coli Is Required for Full Production of the Genotoxin Colibactin.mSphere, , 12-16, Volume: 5, Issue:6, 2020
Evaluation of cinnamon extract effects on clbB gene expression and biofilm formation in Escherichia coli strains isolated from colon cancer patients.BMC cancer, , Mar-30, Volume: 20, Issue:1, 2020
Patients with familial adenomatous polyposis harbor colonic biofilms containing tumorigenic bacteria.Science (New York, N.Y.), , 02-02, Volume: 359, Issue:6375, 2018
Do biofilms confer a pro-carcinogenic state?Gut microbes, , Volume: 7, Issue:1, 2016
Intracellular colon cancer-associated Escherichia coli promote protumoral activities of human macrophages by inducing sustained COX-2 expression.Laboratory investigation; a journal of technical methods and pathology, , Volume: 95, Issue:3, 2015
The bacterial genotoxin colibactin promotes colon tumor growth by modifying the tumor microenvironment.Gut microbes, , Volume: 5, Issue:5, 2014
Bacterial genotoxin colibactin promotes colon tumour growth by inducing a senescence-associated secretory phenotype.Gut, , Volume: 63, Issue:12, 2014
Pathobiont hypnotises enterocytes to promote tumour development.Gut, , Volume: 63, Issue:12, 2014
A prodrug resistance mechanism is involved in colibactin biosynthesis and cytotoxicity.Journal of the American Chemical Society, , Mar-06, Volume: 135, Issue:9, 2013
Characterization of Escherichia coli harboring colibactin genes (clb) isolated from beef production and processing systems.Scientific reports, , 03-29, Volume: 12, Issue:1, 2022
Colibactin possessing E. coli isolates in association with colorectal cancer and their genetic diversity among Pakistani population.PloS one, , Volume: 17, Issue:11, 2022
Escherichia coli BarA-UvrY regulates the pks island and kills Staphylococci via the genotoxin colibactin during interspecies competition.PLoS pathogens, , Volume: 18, Issue:9, 2022
Determination of biomarkers associated with neoadjuvant treatment response focusing on colibactin-producing BMJ open, , 12-02, Volume: 12, Issue:12, 2022
[no title available]Toxins, , 08-06, Volume: 13, Issue:8, 2021
Mother-to-infant transmission of the carcinogenic colibactin-producing bacteria.BMC microbiology, , 08-24, Volume: 21, Issue:1, 2021
pksMolecular biology reports, , Volume: 48, Issue:7, 2021
"Effect of Subinhibitory Concentrations of Some Antibiotics and Low Doses of Gamma Radiation on the Cytotoxicity and Expression of Colibactin by an Uropathogenic Escherichia coli isolate".Current microbiology, , Volume: 78, Issue:2, 2021
Uropathogenic E. coli induces DNA damage in the bladder.PLoS pathogens, , Volume: 17, Issue:2, 2021
Colibactin in avian pathogenic Virulence, , Volume: 12, Issue:1, 2021
Carriage of Colibactin-producing Bacteria and Colorectal Cancer Risk.Trends in microbiology, , Volume: 28, Issue:11, 2020
Evaluation of cinnamon extract effects on clbB gene expression and biofilm formation in Escherichia coli strains isolated from colon cancer patients.BMC cancer, , Mar-30, Volume: 20, Issue:1, 2020
Intestinal colonization of genotoxic Escherichia coli strains encoding colibactin and cytotoxic necrotizing factor in small mammal pets.Veterinary microbiology, , Volume: 240, 2020
The synergistic triad between microcin, colibactin, and salmochelin gene clusters in uropathogenic Escherichia coli.Microbes and infection, , Volume: 22, Issue:3, 2020
Characterization of colibactin-associated mutational signature in an Asian oral squamous cell carcinoma and in other mucosal tumor types.Genome research, , Volume: 30, Issue:6, 2020
Increased Epithelial Oxygenation Links Colitis to an Expansion of Tumorigenic Bacteria.mBio, , 10-01, Volume: 10, Issue:5, 2019
E. coli and colorectal cancer: a complex relationship that deserves a critical mindset.Critical reviews in microbiology, , Volume: 44, Issue:5, 2018
Genetic diversity, phylogroup distribution and virulence gene profile of pks positive Escherichia coli colonizing human intestinal polyps.Microbial pathogenesis, , Volume: 112, 2017
MATE transport of the E. coli-derived genotoxin colibactin.Nature microbiology, , Jan-11, Volume: 1, 2016
The Bacterial Stress-Responsive Hsp90 Chaperone (HtpG) Is Required for the Production of the Genotoxin Colibactin and the Siderophore Yersiniabactin in Escherichia coli.The Journal of infectious diseases, , 09-15, Volume: 214, Issue:6, 2016
Targeting colorectal cancer-associated bacteria: A new area of research for personalized treatments.Gut microbes, , 07-03, Volume: 7, Issue:4, 2016
Escherichia coli ClbS is a colibactin resistance protein.Molecular microbiology, , Volume: 99, Issue:5, 2016
The Genotoxin Colibactin Is a Determinant of Virulence in Escherichia coli K1 Experimental Neonatal Systemic Infection.Infection and immunity, , Volume: 83, Issue:9, 2015
The genotoxin colibactin exacerbates lymphopenia and decreases survival rate in mice infected with septicemic Escherichia coli.The Journal of infectious diseases, , Jul-15, Volume: 210, Issue:2, 2014
Interplay between siderophores and colibactin genotoxin biosynthetic pathways in Escherichia coli.PLoS pathogens, , Volume: 9, Issue:7, 2013
Escherichia coli producing colibactin triggers premature and transmissible senescence in mammalian cells.PloS one, , Volume: 8, Issue:10, 2013
Enterohaemorrhagic Escherichia coli O157 and non-O157 serovars differ in their mechanisms for iron supply.International journal of medical microbiology : IJMM, , Volume: 297, Issue:1, 2007
Cytotoxic necrotizing factor 1 hinders colon tumorigenesis induced by colibactin-producing Gut microbes, , Volume: 15, Issue:1
Genetic and Functional Analysis of the Microbiology spectrum, , 08-17, Volume: 11, Issue:4, 2023
Prevalence and characteristics of pks genotoxin gene cluster-positive clinical Klebsiella pneumoniae isolates in Taiwan.Scientific reports, , 02-24, Volume: 7, 2017
Genotoxic Klebsiella pneumoniae in Taiwan.PloS one, , Volume: 9, Issue:5, 2014
The pks island: a bacterial Swiss army knife? Colibactin: beyond DNA damage and cancer.Trends in microbiology, , Volume: 30, Issue:12, 2022
Tackling the Threat of Cancer Due to Pathobionts Producing Colibactin: Is Mesalamine the Magic Bullet?Toxins, , 12-14, Volume: 13, Issue:12, 2021
Expressing cytotoxic compounds in Escherichia coli Nissle 1917 for tumor-targeting therapy.Research in microbiology, , Volume: 170, Issue:2, 2019
The Enterobacterial Genotoxins: Cytolethal Distending Toxin and Colibactin.EcoSal Plus, , Volume: 7, Issue:1, 2016
Do bacterial genotoxins contribute to chronic inflammation, genomic instability and tumor progression?The FEBS journal, , Volume: 278, Issue:23, 2011
Recurrent APC Splice Variant c.835-8A>G in Patients With Unexplained Colorectal Polyposis Fulfilling the Colibactin Mutational Signature.Gastroenterology, , Volume: 159, Issue:4, 2020
Patients with familial adenomatous polyposis harbor colonic biofilms containing tumorigenic bacteria.Science (New York, N.Y.), , 02-02, Volume: 359, Issue:6375, 2018
The Genotoxin Colibactin Shapes Gut Microbiota in Mice.mSphere, , 07-01, Volume: 5, Issue:4, 2020
Oral tolerance failure upon neonatal gut colonization with Escherichia coli producing the genotoxin colibactin.Infection and immunity, , Volume: 83, Issue:6, 2015
Maternally acquired genotoxic Escherichia coli alters offspring's intestinal homeostasis.Gut microbes, , Volume: 5, Issue:3
Uropathogenic E. coli induces DNA damage in the bladder.PLoS pathogens, , Volume: 17, Issue:2, 2021
The synergistic triad between microcin, colibactin, and salmochelin gene clusters in uropathogenic Escherichia coli.Microbes and infection, , Volume: 22, Issue:3, 2020
Cytotoxic Escherichia coli strains encoding colibactin isolated from immunocompromised mice with urosepsis and meningitis.PloS one, , Volume: 13, Issue:3, 2018
The microbial genotoxin colibactin exacerbates mismatch repair mutations in colorectal tumors.Neoplasia (New York, N.Y.), , Volume: 43, 2023
The Role of Microbiota-Derived Metabolites in Colorectal Cancer.International journal of molecular sciences, , Apr-28, Volume: 24, Issue:9, 2023
Metagenomic analysis of the fecal microbiome in colorectal cancer patients compared to healthy controls as a function of age.Cancer medicine, , Volume: 12, Issue:3, 2023
A Meta-Analysis on the Association of Colibactin-Producing pks+ Escherichia coli with the Development of Colorectal Cancer.Laboratory medicine, , Jan-05, Volume: 54, Issue:1, 2023
Advancing the Biosynthetic and Chemical Understanding of the Carcinogenic Risk Factor Colibactin and Its Producers.Biochemistry, , 12-20, Volume: 61, Issue:24, 2022
Colibactin possessing E. coli isolates in association with colorectal cancer and their genetic diversity among Pakistani population.PloS one, , Volume: 17, Issue:11, 2022
Klebsiella pneumoniae producing bacterial toxin colibactin as a risk of colorectal cancer development - A systematic review.Toxicon : official journal of the International Society on Toxinology, , Jul-15, Volume: 197, 2021
Mechanistic dissection unmasks colibactin as a prevalent mutagenic driver of cancer.Cancer cell, , 11-08, Volume: 39, Issue:11, 2021
Genomic aberrations after short-term exposure to colibactin-producing E. coli transform primary colon epithelial cells.Nature communications, , 02-12, Volume: 12, Issue:1, 2021
pksMolecular biology reports, , Volume: 48, Issue:7, 2021
A bacterial mutational footprint in colorectal cancer genomes.British journal of cancer, , Volume: 124, Issue:11, 2021
Mother-to-infant transmission of the carcinogenic colibactin-producing bacteria.BMC microbiology, , 08-24, Volume: 21, Issue:1, 2021
Colibactin Causes Colorectal Cancer-Associated Mutational Signature.Cancer discovery, , Volume: 10, Issue:5, 2020
Mutational signature in colorectal cancer caused by genotoxic pksNature, , Volume: 580, Issue:7802, 2020
Recurrent APC Splice Variant c.835-8A>G in Patients With Unexplained Colorectal Polyposis Fulfilling the Colibactin Mutational Signature.Gastroenterology, , Volume: 159, Issue:4, 2020
Carriage of Colibactin-producing Bacteria and Colorectal Cancer Risk.Trends in microbiology, , Volume: 28, Issue:11, 2020
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer.Nature medicine, , Volume: 26, Issue:7, 2020
Microbiota and colorectal cancer: colibactin makes its mark.Nature reviews. Gastroenterology & hepatology, , Volume: 17, Issue:6, 2020
Increased Epithelial Oxygenation Links Colitis to an Expansion of Tumorigenic Bacteria.mBio, , 10-01, Volume: 10, Issue:5, 2019
The human gut bacterial genotoxin colibactin alkylates DNA.Science (New York, N.Y.), , 02-15, Volume: 363, Issue:6428, 2019
Unveiling the Mutational Mechanism of the Bacterial Genotoxin Colibactin in Colorectal Cancer.Molecular cell, , 04-18, Volume: 74, Issue:2, 2019
Activity-Based Probe for Screening of High-Colibactin Producers from Clinical Samples.Organic letters, , 06-21, Volume: 21, Issue:12, 2019
E. coli and colorectal cancer: a complex relationship that deserves a critical mindset.Critical reviews in microbiology, , Volume: 44, Issue:5, 2018
Molecular Basis of Gut Microbiome-Associated Colorectal Cancer: A Synthetic Perspective.Journal of the American Chemical Society, , 10-25, Volume: 139, Issue:42, 2017
Targeting colorectal cancer-associated bacteria: A new area of research for personalized treatments.Gut microbes, , 07-03, Volume: 7, Issue:4, 2016
Small-molecule inhibitors prevent the genotoxic and protumoural effects induced by colibactin-producing bacteria.Gut, , Volume: 65, Issue:2, 2016
[Microbiota and colorectal cancer: genotoxic bacteria in the intestinal tract].Bulletin de l'Academie nationale de medecine, , Volume: 195, Issue:6, 2011
Genetic and Functional Analysis of the Microbiology spectrum, , 08-17, Volume: 11, Issue:4, 2023
Cytotoxic Escherichia coli strains encoding colibactin isolated from immunocompromised mice with urosepsis and meningitis.PloS one, , Volume: 13, Issue:3, 2018
The genotoxin colibactin exacerbates lymphopenia and decreases survival rate in mice infected with septicemic Escherichia coli.The Journal of infectious diseases, , Jul-15, Volume: 210, Issue:2, 2014
Interplay between siderophores and colibactin genotoxin biosynthetic pathways in Escherichia coli.PLoS pathogens, , Volume: 9, Issue:7, 2013
Genetic and Functional Analysis of the Microbiology spectrum, , 08-17, Volume: 11, Issue:4, 2023
Cytotoxic Escherichia coli strains encoding colibactin isolated from immunocompromised mice with urosepsis and meningitis.PloS one, , Volume: 13, Issue:3, 2018
The genotoxin colibactin exacerbates lymphopenia and decreases survival rate in mice infected with septicemic Escherichia coli.The Journal of infectious diseases, , Jul-15, Volume: 210, Issue:2, 2014
Interplay between siderophores and colibactin genotoxin biosynthetic pathways in Escherichia coli.PLoS pathogens, , Volume: 9, Issue:7, 2013
Metagenomic analysis of the fecal microbiome in colorectal cancer patients compared to healthy controls as a function of age.Cancer medicine, , Volume: 12, Issue:3, 2023
Advancing the Biosynthetic and Chemical Understanding of the Carcinogenic Risk Factor Colibactin and Its Producers.Biochemistry, , 12-20, Volume: 61, Issue:24, 2022
Oligosaccharides increase the genotoxic effect of colibactin produced by pks+ Escherichia coli strains.BMC cancer, , Feb-17, Volume: 21, Issue:1, 2021
Mother-to-infant transmission of the carcinogenic colibactin-producing bacteria.BMC microbiology, , 08-24, Volume: 21, Issue:1, 2021
The Polyphosphate Kinase of Escherichia coli Is Required for Full Production of the Genotoxin Colibactin.mSphere, , 12-16, Volume: 5, Issue:6, 2020
The human gut bacterial genotoxin colibactin alkylates DNA.Science (New York, N.Y.), , 02-15, Volume: 363, Issue:6428, 2019
Increased Epithelial Oxygenation Links Colitis to an Expansion of Tumorigenic Bacteria.mBio, , 10-01, Volume: 10, Issue:5, 2019
Patients with familial adenomatous polyposis harbor colonic biofilms containing tumorigenic bacteria.Science (New York, N.Y.), , 02-02, Volume: 359, Issue:6375, 2018
Pathobiont hypnotises enterocytes to promote tumour development.Gut, , Volume: 63, Issue:12, 2014
Bacterial genotoxin colibactin promotes colon tumour growth by inducing a senescence-associated secretory phenotype.Gut, , Volume: 63, Issue:12, 2014
Cytotoxic necrotizing factor 1 hinders colon tumorigenesis induced by colibactin-producing Gut microbes, , Volume: 15, Issue:1
Mechanistic dissection unmasks colibactin as a prevalent mutagenic driver of cancer.Cancer cell, , 11-08, Volume: 39, Issue:11, 2021
Genomic aberrations after short-term exposure to colibactin-producing E. coli transform primary colon epithelial cells.Nature communications, , 02-12, Volume: 12, Issue:1, 2021
The microbial genotoxin colibactin exacerbates mismatch repair mutations in colorectal tumors.Neoplasia (New York, N.Y.), , Volume: 43, 2023
Oligosaccharides increase the genotoxic effect of colibactin produced by pks+ Escherichia coli strains.BMC cancer, , Feb-17, Volume: 21, Issue:1, 2021
Genomic aberrations after short-term exposure to colibactin-producing E. coli transform primary colon epithelial cells.Nature communications, , 02-12, Volume: 12, Issue:1, 2021
Colibactin-positive Escherichia coli induce a procarcinogenic immune environment leading to immunotherapy resistance in colorectal cancer.International journal of cancer, , 06-01, Volume: 146, Issue:11, 2020
Evaluation of cinnamon extract effects on clbB gene expression and biofilm formation in Escherichia coli strains isolated from colon cancer patients.BMC cancer, , Mar-30, Volume: 20, Issue:1, 2020
The Polyphosphate Kinase of Escherichia coli Is Required for Full Production of the Genotoxin Colibactin.mSphere, , 12-16, Volume: 5, Issue:6, 2020
Patients with familial adenomatous polyposis harbor colonic biofilms containing tumorigenic bacteria.Science (New York, N.Y.), , 02-02, Volume: 359, Issue:6375, 2018
Do biofilms confer a pro-carcinogenic state?Gut microbes, , Volume: 7, Issue:1, 2016
Intracellular colon cancer-associated Escherichia coli promote protumoral activities of human macrophages by inducing sustained COX-2 expression.Laboratory investigation; a journal of technical methods and pathology, , Volume: 95, Issue:3, 2015
The bacterial genotoxin colibactin promotes colon tumor growth by modifying the tumor microenvironment.Gut microbes, , Volume: 5, Issue:5, 2014
Bacterial genotoxin colibactin promotes colon tumour growth by inducing a senescence-associated secretory phenotype.Gut, , Volume: 63, Issue:12, 2014
Pathobiont hypnotises enterocytes to promote tumour development.Gut, , Volume: 63, Issue:12, 2014
A prodrug resistance mechanism is involved in colibactin biosynthesis and cytotoxicity.Journal of the American Chemical Society, , Mar-06, Volume: 135, Issue:9, 2013
A commensal-encoded genotoxin drives restriction of Proceedings of the National Academy of Sciences of the United States of America, , 03-15, Volume: 119, Issue:11, 2022
[no title available]Toxins, , 08-06, Volume: 13, Issue:8, 2021
Colibactin in avian pathogenic Virulence, , Volume: 12, Issue:1, 2021
MATE transport of the E. coli-derived genotoxin colibactin.Nature microbiology, , Jan-11, Volume: 1, 2016
The Bacterial Stress-Responsive Hsp90 Chaperone (HtpG) Is Required for the Production of the Genotoxin Colibactin and the Siderophore Yersiniabactin in Escherichia coli.The Journal of infectious diseases, , 09-15, Volume: 214, Issue:6, 2016
The Genotoxin Colibactin Is a Determinant of Virulence in Escherichia coli K1 Experimental Neonatal Systemic Infection.Infection and immunity, , Volume: 83, Issue:9, 2015
pksMolecular biology reports, , Volume: 48, Issue:7, 2021
Characterization of Escherichia coli harboring colibactin genes (clb) isolated from beef production and processing systems.Scientific reports, , 03-29, Volume: 12, Issue:1, 2022
Escherichia coli BarA-UvrY regulates the pks island and kills Staphylococci via the genotoxin colibactin during interspecies competition.PLoS pathogens, , Volume: 18, Issue:9, 2022
Colibactin possessing E. coli isolates in association with colorectal cancer and their genetic diversity among Pakistani population.PloS one, , Volume: 17, Issue:11, 2022
Determination of biomarkers associated with neoadjuvant treatment response focusing on colibactin-producing BMJ open, , 12-02, Volume: 12, Issue:12, 2022
"Effect of Subinhibitory Concentrations of Some Antibiotics and Low Doses of Gamma Radiation on the Cytotoxicity and Expression of Colibactin by an Uropathogenic Escherichia coli isolate".Current microbiology, , Volume: 78, Issue:2, 2021
[no title available]Toxins, , 08-06, Volume: 13, Issue:8, 2021
Uropathogenic E. coli induces DNA damage in the bladder.PLoS pathogens, , Volume: 17, Issue:2, 2021
pksMolecular biology reports, , Volume: 48, Issue:7, 2021
Colibactin in avian pathogenic Virulence, , Volume: 12, Issue:1, 2021
Mother-to-infant transmission of the carcinogenic colibactin-producing bacteria.BMC microbiology, , 08-24, Volume: 21, Issue:1, 2021
Carriage of Colibactin-producing Bacteria and Colorectal Cancer Risk.Trends in microbiology, , Volume: 28, Issue:11, 2020
Evaluation of cinnamon extract effects on clbB gene expression and biofilm formation in Escherichia coli strains isolated from colon cancer patients.BMC cancer, , Mar-30, Volume: 20, Issue:1, 2020
The synergistic triad between microcin, colibactin, and salmochelin gene clusters in uropathogenic Escherichia coli.Microbes and infection, , Volume: 22, Issue:3, 2020
Intestinal colonization of genotoxic Escherichia coli strains encoding colibactin and cytotoxic necrotizing factor in small mammal pets.Veterinary microbiology, , Volume: 240, 2020
Characterization of colibactin-associated mutational signature in an Asian oral squamous cell carcinoma and in other mucosal tumor types.Genome research, , Volume: 30, Issue:6, 2020
Increased Epithelial Oxygenation Links Colitis to an Expansion of Tumorigenic Bacteria.mBio, , 10-01, Volume: 10, Issue:5, 2019
E. coli and colorectal cancer: a complex relationship that deserves a critical mindset.Critical reviews in microbiology, , Volume: 44, Issue:5, 2018
Genetic diversity, phylogroup distribution and virulence gene profile of pks positive Escherichia coli colonizing human intestinal polyps.Microbial pathogenesis, , Volume: 112, 2017
Escherichia coli ClbS is a colibactin resistance protein.Molecular microbiology, , Volume: 99, Issue:5, 2016
The Bacterial Stress-Responsive Hsp90 Chaperone (HtpG) Is Required for the Production of the Genotoxin Colibactin and the Siderophore Yersiniabactin in Escherichia coli.The Journal of infectious diseases, , 09-15, Volume: 214, Issue:6, 2016
MATE transport of the E. coli-derived genotoxin colibactin.Nature microbiology, , Jan-11, Volume: 1, 2016
Targeting colorectal cancer-associated bacteria: A new area of research for personalized treatments.Gut microbes, , 07-03, Volume: 7, Issue:4, 2016
The Genotoxin Colibactin Is a Determinant of Virulence in Escherichia coli K1 Experimental Neonatal Systemic Infection.Infection and immunity, , Volume: 83, Issue:9, 2015
The genotoxin colibactin exacerbates lymphopenia and decreases survival rate in mice infected with septicemic Escherichia coli.The Journal of infectious diseases, , Jul-15, Volume: 210, Issue:2, 2014
Interplay between siderophores and colibactin genotoxin biosynthetic pathways in Escherichia coli.PLoS pathogens, , Volume: 9, Issue:7, 2013
Escherichia coli producing colibactin triggers premature and transmissible senescence in mammalian cells.PloS one, , Volume: 8, Issue:10, 2013
Enterohaemorrhagic Escherichia coli O157 and non-O157 serovars differ in their mechanisms for iron supply.International journal of medical microbiology : IJMM, , Volume: 297, Issue:1, 2007
Cytotoxic necrotizing factor 1 hinders colon tumorigenesis induced by colibactin-producing Gut microbes, , Volume: 15, Issue:1
Genetic and Functional Analysis of the Microbiology spectrum, , 08-17, Volume: 11, Issue:4, 2023
Prevalence and characteristics of pks genotoxin gene cluster-positive clinical Klebsiella pneumoniae isolates in Taiwan.Scientific reports, , 02-24, Volume: 7, 2017
Genotoxic Klebsiella pneumoniae in Taiwan.PloS one, , Volume: 9, Issue:5, 2014
The pks island: a bacterial Swiss army knife? Colibactin: beyond DNA damage and cancer.Trends in microbiology, , Volume: 30, Issue:12, 2022
Tackling the Threat of Cancer Due to Pathobionts Producing Colibactin: Is Mesalamine the Magic Bullet?Toxins, , 12-14, Volume: 13, Issue:12, 2021
Expressing cytotoxic compounds in Escherichia coli Nissle 1917 for tumor-targeting therapy.Research in microbiology, , Volume: 170, Issue:2, 2019
The Enterobacterial Genotoxins: Cytolethal Distending Toxin and Colibactin.EcoSal Plus, , Volume: 7, Issue:1, 2016
Do bacterial genotoxins contribute to chronic inflammation, genomic instability and tumor progression?The FEBS journal, , Volume: 278, Issue:23, 2011
Recurrent APC Splice Variant c.835-8A>G in Patients With Unexplained Colorectal Polyposis Fulfilling the Colibactin Mutational Signature.Gastroenterology, , Volume: 159, Issue:4, 2020
Patients with familial adenomatous polyposis harbor colonic biofilms containing tumorigenic bacteria.Science (New York, N.Y.), , 02-02, Volume: 359, Issue:6375, 2018
The Role of Microbiota-Derived Metabolites in Colorectal Cancer.International journal of molecular sciences, , Apr-28, Volume: 24, Issue:9, 2023
The microbial genotoxin colibactin exacerbates mismatch repair mutations in colorectal tumors.Neoplasia (New York, N.Y.), , Volume: 43, 2023
Metagenomic analysis of the fecal microbiome in colorectal cancer patients compared to healthy controls as a function of age.Cancer medicine, , Volume: 12, Issue:3, 2023
A Meta-Analysis on the Association of Colibactin-Producing pks+ Escherichia coli with the Development of Colorectal Cancer.Laboratory medicine, , Jan-05, Volume: 54, Issue:1, 2023
Colibactin possessing E. coli isolates in association with colorectal cancer and their genetic diversity among Pakistani population.PloS one, , Volume: 17, Issue:11, 2022
Advancing the Biosynthetic and Chemical Understanding of the Carcinogenic Risk Factor Colibactin and Its Producers.Biochemistry, , 12-20, Volume: 61, Issue:24, 2022
Genomic aberrations after short-term exposure to colibactin-producing E. coli transform primary colon epithelial cells.Nature communications, , 02-12, Volume: 12, Issue:1, 2021
Klebsiella pneumoniae producing bacterial toxin colibactin as a risk of colorectal cancer development - A systematic review.Toxicon : official journal of the International Society on Toxinology, , Jul-15, Volume: 197, 2021
pksMolecular biology reports, , Volume: 48, Issue:7, 2021
Mother-to-infant transmission of the carcinogenic colibactin-producing bacteria.BMC microbiology, , 08-24, Volume: 21, Issue:1, 2021
Mechanistic dissection unmasks colibactin as a prevalent mutagenic driver of cancer.Cancer cell, , 11-08, Volume: 39, Issue:11, 2021
A bacterial mutational footprint in colorectal cancer genomes.British journal of cancer, , Volume: 124, Issue:11, 2021
Microbiota and colorectal cancer: colibactin makes its mark.Nature reviews. Gastroenterology & hepatology, , Volume: 17, Issue:6, 2020
Carriage of Colibactin-producing Bacteria and Colorectal Cancer Risk.Trends in microbiology, , Volume: 28, Issue:11, 2020
Recurrent APC Splice Variant c.835-8A>G in Patients With Unexplained Colorectal Polyposis Fulfilling the Colibactin Mutational Signature.Gastroenterology, , Volume: 159, Issue:4, 2020
Colibactin DNA-damage signature indicates mutational impact in colorectal cancer.Nature medicine, , Volume: 26, Issue:7, 2020
Mutational signature in colorectal cancer caused by genotoxic pksNature, , Volume: 580, Issue:7802, 2020
Colibactin Causes Colorectal Cancer-Associated Mutational Signature.Cancer discovery, , Volume: 10, Issue:5, 2020
Increased Epithelial Oxygenation Links Colitis to an Expansion of Tumorigenic Bacteria.mBio, , 10-01, Volume: 10, Issue:5, 2019
The human gut bacterial genotoxin colibactin alkylates DNA.Science (New York, N.Y.), , 02-15, Volume: 363, Issue:6428, 2019
Unveiling the Mutational Mechanism of the Bacterial Genotoxin Colibactin in Colorectal Cancer.Molecular cell, , 04-18, Volume: 74, Issue:2, 2019
Activity-Based Probe for Screening of High-Colibactin Producers from Clinical Samples.Organic letters, , 06-21, Volume: 21, Issue:12, 2019
E. coli and colorectal cancer: a complex relationship that deserves a critical mindset.Critical reviews in microbiology, , Volume: 44, Issue:5, 2018
Molecular Basis of Gut Microbiome-Associated Colorectal Cancer: A Synthetic Perspective.Journal of the American Chemical Society, , 10-25, Volume: 139, Issue:42, 2017
Small-molecule inhibitors prevent the genotoxic and protumoural effects induced by colibactin-producing bacteria.Gut, , Volume: 65, Issue:2, 2016
Targeting colorectal cancer-associated bacteria: A new area of research for personalized treatments.Gut microbes, , 07-03, Volume: 7, Issue:4, 2016
[Microbiota and colorectal cancer: genotoxic bacteria in the intestinal tract].Bulletin de l'Academie nationale de medecine, , Volume: 195, Issue:6, 2011
Safety/Toxicity (5)
| Article | Year |
|---|
Oligosaccharides increase the genotoxic effect of colibactin produced by pks+ Escherichia coli strains.
BMC cancer, , Feb-17, Volume: 21, Issue:1 | 2021 |
"Effect of Subinhibitory Concentrations of Some Antibiotics and Low Doses of Gamma Radiation on the Cytotoxicity and Expression of Colibactin by an Uropathogenic Escherichia coli isolate".
Current microbiology, , Volume: 78, Issue:2 | 2021 |
Model Colibactins Exhibit Human Cell Genotoxicity in the Absence of Host Bacteria.
ACS chemical biology, , 12-21, Volume: 13, Issue:12 | 2018 |
An adherent mucus layer attenuates the genotoxic effect of colibactin.
Cellular microbiology, , Volume: 20, Issue:2 | 2018 |
A prodrug resistance mechanism is involved in colibactin biosynthesis and cytotoxicity.
Journal of the American Chemical Society, , Mar-06, Volume: 135, Issue:9 | 2013 |
Dosage (1)