(2e)-2-nitroimino-1,3-diazinane-4-carboxylic acid (CED0310109)

Record Information
Version1.0
Creation Date2026-09-01 08:12:31 UTC
Update Date2026-09-01 08:12:31 UTC
Accession NumberCHEM355816
Identification
Common Name(2e)-2-nitroimino-1,3-diazinane-4-carboxylic acid
ClassSmall Molecule
Description
(2e)-2-nitroimino-1,3-diazinane-4-carboxylic acid is a chemical compound with the formula C5H8N4O4. It has an average molecular weight of 188.14 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H8N4O4
Average Molecular MassNot Available
Monoisotopic Mass188.055 g/mol
CAS Registry Number28922-01-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CNC(=N[N+](=O)[O-])NC1C(=O)O
InChI IdentifierInChI=1S/C5H8N4O4/c10-4(11)3-1-2-6-5(7-3)8-9(12)13/h3H,1-2H2,(H,10,11)(H2,6,7,8)
InChI KeyHFIFDYDAFNLBCX-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2888.0Log mg/kg[1600:5100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)507.81
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)3116.3
Proline iminopeptidase structureClick to view 3D structureProline iminopeptidaseO32449Serratia marcescensPredicted (SEA)24.3668
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)5165.3
Replicase polyprotein 1a structureClick to view 3D structureReplicase polyprotein 1aP0C6U8SARS-CoVPredicted (SEA)1140.88
Click to view 3D structureSodium- and chloride-dependent betaine transporterP48065HumansPredicted (SEA)24.5225
Click to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)436.033
Sodium- and chloride-dependent GABA transporter 1 structureClick to view 3D structureSodium- and chloride-dependent GABA transporter 1P30531HumansPredicted (SEA)542.376
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)5886.72
Click to view 3D structureEukaryotic translation initiation factor 4EP63073Mus musculusPredicted (SEA)545.1
Ornithine aminotransferase, mitochondrial structureClick to view 3D structureOrnithine aminotransferase, mitochondrialP04181HumansPredicted (SEA)58.6205
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abQ98VG9Feline coronavirus (strain FIPV WSU-79/1146)Predicted (SEA)284.928
Click to view 3D structureSodium- and chloride-dependent GABA transporter 3P48066HumansPredicted (SEA)932.634
Click to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)1063.19
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)7021.84
Click to view 3D structureDual specificity protein phosphatase 6Q64346Rattus norvegicusPredicted (SEA)3252.15
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)123.391
Click to view 3D structureSH3 and multiple ankyrin repeat domains protein 3Q4ACU6Mus musculusPredicted (SEA)1.55698
Click to view 3D structureLong-chain fatty acid transport protein 4Q6P1M0HumansPredicted (SEA)34.6429
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)2673.89
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)1.16774
Heat shock 70 kDa protein 1A structureClick to view 3D structureHeat shock 70 kDa protein 1AP0DMV8HumansPredicted (SEA)42.9728
Click to view 3D structureNicotinic acetylcholine receptor alpha 5 subunitA9XFY4Musca domesticaPredicted (SEA)37.4455
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)4951.05
Click to view 3D structureAcetylcholine receptor subunit beta-like 2P25162Drosophila melanogasterPredicted (SEA)81.041
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available