Sodium acetylide (CED0008234)

Record Information
Version1.0
Creation Date2026-04-05 17:48:41 UTC
Update Date2026-04-05 17:48:41 UTC
SynCED IDCED0008234
Secondary Accession Numbers
  • CHEM105376
Identification
Common NameSodium acetylide
ClassSmall Molecule
Description
Sodium acetylide belongs to the hydrocarbon derivatives, a superclass within the organic compounds. It is characterized by the chemical formula C2HNa.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC2HNa
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C2H.Na/c1-2;/h1H;/rC2HNa/c1-2-3/h1H
InChI KeySLBNQJAGYKQCKI-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
434.0 Log mg/kg [240:770]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.095
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
241
E-value
7782.35
Click to view 3D structureCytochrome P450 2B1P00176RatPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.13 Low confidence
Statistical Significance
0.6327
Supporting Reference Compounds
8
E-value
4925.29
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.09
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9987
Supporting Reference Compounds
66
E-value
7774.49
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.09
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9985
Supporting Reference Compounds
77
E-value
7773.63
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.125 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
407
E-value
7784.77
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.081
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
332
E-value
7784.53
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.078
Applicability Domain
0.081 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
174
E-value
7783.83
Pyridoxine-5'-phosphate oxidase structureClick to view 3D structurePyridoxine-5'-phosphate oxidaseQ9NVS9HumansPredicted (SEA)
Prediction Confidence Score
0.077
Applicability Domain
0.077 Low confidence
Statistical Significance
0.7608
Supporting Reference Compounds
1
E-value
5922.61
Click to view 3D structureSigma intracellular receptor 2Q8VD00Mus musculusPredicted (SEA)
Prediction Confidence Score
0.077
Applicability Domain
0.077 Low confidence
Statistical Significance
0.6332
Supporting Reference Compounds
1
E-value
4929.1
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.077
Applicability Domain
0.081 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
391
E-value
7784.53
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.076
Applicability Domain
0.081 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
187
E-value
7783.91
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.076
Applicability Domain
0.08 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
221
E-value
7784.14
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.074
Applicability Domain
0.091 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
406
E-value
7784.53
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.071
Applicability Domain
0.08 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
303
E-value
7784.46
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)
Prediction Confidence Score
0.071
Applicability Domain
0.08 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
302
E-value
7784.61
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.07
Applicability Domain
0.085 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
593
E-value
7784.61
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.07
Applicability Domain
0.091 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
234
E-value
7784.38
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.069
Applicability Domain
0.091 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
1301
E-value
7784.69
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.068
Applicability Domain
0.085 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
451
E-value
7784.61
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.067
Applicability Domain
0.085 Low confidence
Statistical Significance
1.0
Supporting Reference Compounds
506
E-value
7784.61
Cyclin-G-associated kinase structureClick to view 3D structureCyclin-G-associated kinaseO14976HumansPredicted (SEA)
Prediction Confidence Score
0.065
Applicability Domain
0.091 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
180
E-value
7784.3
Click to view 3D structure3-ketoacyl-CoA synthase 20Q9FG87Arabidopsis thalianaPredicted (SEA)
Prediction Confidence Score
0.13
Applicability Domain
0.13 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
1
E-value
18.606
4-hydroxy-3-methylbut-2-enyl diphosphate reductase structureClick to view 3D structure4-hydroxy-3-methylbut-2-enyl diphosphate reductaseO67625Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.111
Applicability Domain
0.111 Low confidence
Statistical Significance
0.0058
Supporting Reference Compounds
1
E-value
45.0747
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.1 Low confidence
Statistical Significance
0.0615
Supporting Reference Compounds
1
E-value
478.695
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.097
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
315
E-value
7781.57
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available