Dihydroxyphosphinothioylformic acid (CED0000076)

Record Information
Version1.0
Creation Date2026-08-26 00:15:55 UTC
Update Date2026-08-26 00:15:55 UTC
SynCED IDCED0000076
Secondary Accession Numbers
  • CHEM272717
Identification
Common NameDihydroxyphosphinothioylformic acid
ClassSmall Molecule
Description
Dihydroxyphosphinothioylformic acid belongs to the organic carbonic acids and derivatives, a class of organic acids and derivatives within the organic compounds. This compound has the chemical formula CH3O4PS and an average molecular weight of 142.07 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaCH3O4PS
Average Molecular Mass142.070 g/mol
Monoisotopic Mass141.949 g/mol
CAS Registry Number99107-93-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/CH3O4PS/c2-1(3)6(4,5)7/h(H,2,3)(H2,4,5,7)
InChI KeyOSIAURSWRZARKZ-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
1317.0 Log mg/kg [740:2300]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
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
CEDs000705Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.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 structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0083
Supporting Reference Compounds
24
E-value
64.3035
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.333
Statistical Significance
0.3326
Supporting Reference Compounds
372
E-value
2589.11
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP04825Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
9.20e-04
Supporting Reference Compounds
1
E-value
7.16213
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0721
Supporting Reference Compounds
38
E-value
561.059
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.211 Low confidence
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.211 Low confidence
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.231 Low confidence
Statistical Significance
0.1559
Supporting Reference Compounds
69
E-value
1213.9
Ornithine transcarbamylase, mitochondrial structureClick to view 3D structureOrnithine transcarbamylase, mitochondrialP00480HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.206 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
1
E-value
22.1092
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0655
Supporting Reference Compounds
28
E-value
510.224
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.2 Low confidence
Statistical Significance
3.80e-04
Supporting Reference Compounds
1
E-value
2.95827
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.231 Low confidence
Statistical Significance
0.002
Supporting Reference Compounds
2
E-value
15.8812
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.231 Low confidence
Statistical Significance
0.1354
Supporting Reference Compounds
39
E-value
1053.84
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.231 Low confidence
Statistical Significance
0.1057
Supporting Reference Compounds
48
E-value
823.255
Click to view 3D structureInositol polyphosphate-5-phosphatase AQ14642HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.214 Low confidence
Statistical Significance
1.60e-04
Supporting Reference Compounds
2
E-value
1.24559
6-phosphogluconolactonase structureClick to view 3D structure6-phosphogluconolactonaseQ9GRG6Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
4.30e-04
Supporting Reference Compounds
1
E-value
3.34752
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0046
Supporting Reference Compounds
1
E-value
35.7328
Glutamine synthetase structureClick to view 3D structureGlutamine synthetaseP0A9C5Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.0369
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.192 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.48557
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.192 Low confidence
Statistical Significance
0.0115
Supporting Reference Compounds
1
E-value
89.838
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.208 Low confidence
Statistical Significance
0.7042
Supporting Reference Compounds
400
E-value
5482.06
Beta-lactamase VIM-1 structureClick to view 3D structureBeta-lactamase VIM-1Q9XAY4Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.19 Low confidence
Statistical Significance
7.60e-04
Supporting Reference Compounds
1
E-value
5.91654
Click to view 3D structurePhospho-2-dehydro-3-deoxyheptonate aldolaseC3TIE2Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.188 Low confidence
Statistical Significance
8.60e-04
Supporting Reference Compounds
1
E-value
6.69503
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.208 Low confidence
Statistical Significance
0.6358
Supporting Reference Compounds
332
E-value
4949.65
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.208 Low confidence
Statistical Significance
0.671
Supporting Reference Compounds
407
E-value
5223.92
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0018
Supporting Reference Compounds
2
E-value
13.935
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available