Tritridecyl phosphate (CED0000258)

Record Information
Version1.0
Creation Date2026-08-22 12:20:00 UTC
Update Date2026-08-22 12:20:00 UTC
SynCED IDCED0000258
Secondary Accession Numbers
  • CHEM214827
Identification
Common NameTritridecyl phosphate
ClassSmall Molecule
Description
Tritridecyl phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the chemical formula C39H81O4P. With an average molecular weight of 645.00 g/mol, Tritridecyl phosphate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC39H81O4P
Average Molecular Mass645.000 g/mol
Monoisotopic Mass644.587 g/mol
CAS Registry Number3033-37-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C39H81O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-44(40,42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChI KeyXEQUZHYCHCGTJX-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
10448.0 Log mg/kg [5900:19000]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
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?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 EquipmentPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.538
Statistical Significance
3.10e-04
Supporting Reference Compounds
21
E-value
2.41333
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.396
Applicability Domain
0.538
Statistical Significance
3.30e-04
Supporting Reference Compounds
30
E-value
2.56902
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.367
Statistical Significance
2.70e-04
Supporting Reference Compounds
15
E-value
2.10193
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.367
Statistical Significance
2.00e-04
Supporting Reference Compounds
14
E-value
1.55698
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.367
Statistical Significance
3.60e-04
Supporting Reference Compounds
22
E-value
2.80257
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.448
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.484
Statistical Significance
6.10e-04
Supporting Reference Compounds
31
E-value
4.7488
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.343
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.48
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.375
Statistical Significance
0.0026
Supporting Reference Compounds
46
E-value
20.4743
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.321
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.361
Statistical Significance
2.00e-04
Supporting Reference Compounds
3
E-value
1.55698
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.375
Statistical Significance
0.0019
Supporting Reference Compounds
34
E-value
14.48
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.333
Statistical Significance
0.0101
Supporting Reference Compounds
127
E-value
78.9391
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.375
Statistical Significance
1.50e-04
Supporting Reference Compounds
2
E-value
1.16774
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.375
Statistical Significance
0.0056
Supporting Reference Compounds
83
E-value
43.5956
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.333
Statistical Significance
0.0081
Supporting Reference Compounds
197
E-value
62.8243
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.375
Statistical Significance
7.90e-04
Supporting Reference Compounds
40
E-value
6.15009
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.375
Statistical Significance
0.0027
Supporting Reference Compounds
42
E-value
21.175
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.421
Statistical Significance
0.0867
Supporting Reference Compounds
797
E-value
674.875
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.333
Statistical Significance
0.0099
Supporting Reference Compounds
89
E-value
77.1486
2-dehydro-3-deoxyphosphooctonate aldolase structureClick to view 3D structure2-dehydro-3-deoxyphosphooctonate aldolaseQ9JZ55Neisseria meningitidis serogroup B (strain MC58)Predicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.297 Low confidence
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.317
Statistical Significance
0.0018
Supporting Reference Compounds
40
E-value
14.0129
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.361
Statistical Significance
4.50e-04
Supporting Reference Compounds
9
E-value
3.50322
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available