Triaminoguanidine mononitrate (CED0107551)

Record Information

Version

1.0

Creation Date

2026-04-05 19:55:15 UTC

Update Date

2026-04-05 19:55:15 UTC

SynCED ID

CED0107551

Secondary Accession Numbers

CHEM107841

Identification

Common Name

Triaminoguanidine mononitrate

Class

Small Molecule

Description

Triaminoguanidine mononitrate belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. This compound is characterized by the chemical formula CH9N7O3. It is further classified within the superclass of organic oxygen compounds.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₉N₇O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

167.077 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/CH8N6.HNO3/c2-1(6-3)7(4)5;2-1(3)4/h3-5H2,(H2,2,6);(H,2,3,4)

InChI Key

XLXWQTRKKYVWBJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
257.0 Log mg/kg [140:460]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000665	Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.	Fire suppression systems & agents	PubChem
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000736	Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.	Electrical & Electronic Equipment	PubChem
CEDs000737	Chemical Igniters?Chemical igniters are substances or devices designed to initiate combustion in various applications, often found in products like lighters, candles, and certain household cleaning agents.	Household items	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cystathionine beta-lyase MetC	P06721	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0058 Supporting Reference Compounds 1 E-value 45.4639
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0127 Supporting Reference Compounds 1 E-value 98.7907
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.7255
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.292 Low confidence Statistical Significance 0.265 Supporting Reference Compounds 47 E-value 2063.32
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.184 Low confidence Statistical Significance 0.892 Supporting Reference Compounds 472 E-value 6944.38
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.277 Low confidence Statistical Significance 0.922 Supporting Reference Compounds 425 E-value 7177.7
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.184 Low confidence Statistical Significance 0.8803 Supporting Reference Compounds 407 E-value 6853.07
Click to view 3D structure	Nitric oxide synthase 1	P29475	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.292 Low confidence Statistical Significance 0.5077 Supporting Reference Compounds 65 E-value 3952.33
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.184 Low confidence Statistical Significance 0.8929 Supporting Reference Compounds 372 E-value 6951.23
Click to view 3D structure	Modulator of drug activity A	Q8X6S1	Escherichia coli O157:H7	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.167 Low confidence Statistical Significance 0.0137 Supporting Reference Compounds 2 E-value 106.576
Click to view 3D structure	Nitric oxide synthase, inducible	P29477	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.292 Low confidence Statistical Significance 0.4999 Supporting Reference Compounds 47 E-value 3891.84
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.175 Low confidence Statistical Significance 0.8186 Supporting Reference Compounds 165 E-value 6372.89
Click to view 3D structure	Nitric oxide synthase 1	P29476	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.292 Low confidence Statistical Significance 0.4656 Supporting Reference Compounds 49 E-value 3624.43
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.277 Low confidence Statistical Significance 0.8301 Supporting Reference Compounds 95 E-value 6462.19
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase	Q46822	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.0047 Supporting Reference Compounds 1 E-value 36.5891
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.156 Low confidence Statistical Significance 0.0184 Supporting Reference Compounds 2 E-value 143.009
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.175 Low confidence Statistical Significance 0.8556 Supporting Reference Compounds 157 E-value 6660.55
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.0147 Supporting Reference Compounds 2 E-value 114.438
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.16 Low confidence Statistical Significance 0.9603 Supporting Reference Compounds 332 E-value 7475.86
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.167 Low confidence Statistical Significance 0.9512 Supporting Reference Compounds 205 E-value 7405.33
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.175 Low confidence Statistical Significance 0.956 Supporting Reference Compounds 242 E-value 7442.15
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.167 Low confidence Statistical Significance 0.9972 Supporting Reference Compounds 825 E-value 7762.81
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 1022 E-value 7737.2
Click to view 3D structure	Carbonic anhydrase	P46510	Flaveria bidentis	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.0388 Supporting Reference Compounds 1 E-value 301.744
Click to view 3D structure	Carbonic anhydrase 7	Q9ERQ8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.0388 Supporting Reference Compounds 1 E-value 301.744