3-Phosphoglyceric acid (CED0006465)

Record Information
Version1.0
Creation Date2016-05-26 05:22:32 UTC
Update Date2026-05-14 18:08:45 UTC
SynCED IDCED0006465
Secondary Accession Numbers
  • CHEM034965
Identification
Common Name3-Phosphoglyceric acid
ClassSmall Molecule
Description
3-Phosphoglyceric acid (C3H7O7P) is a chemical compound with an average molecular weight of 186.06 g/mol. 3-Phosphoglyceric acid belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. The compound is found in or released from nine recorded sources across various categories. Within food, food processing, and cookware, it is associated with fermentation processes for beer, brew kettles, food preservation, the preparation of malt, and the preparation of wine or sparkling wine, among one other source. Additionally, it is found in household cleaning and consumer products, specifically within soap detergents and bleaching agents. It is also recorded in relation to electrodes used in electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
3-(Dihydrogen phosphate)glycerateChEBI
3-(Dihydrogen phosphate)glyceric acidChEBI
3-PhosphoglycerateChEBI
DL-Glycerate 3-phosphateChEBI
Glycerate 3-phosphateChEBI
Glycerate 3-phosphatesChEBI
Glyceric acid 3-phosphateChEBI
3-(Dihydrogen phosphoric acid)glyceric acidGenerator
DL-Glyceric acid 3-phosphoric acidGenerator
Glyceric acid 3-phosphoric acidGenerator
Glyceric acid 3-phosphatesGenerator
3-GlycerophosphorateHMDB
3-Glycerophosphoric acidHMDB
3-p-D-GlycerateHMDB
3-p-GlycerateHMDB
3-PGHMDB
3-PGAHMDB
3-Phospho-(R)-glycerateHMDB
3-Phospho-D-glycerateHMDB
3-Phospho-glycerateHMDB
3-Phospho-glyceric acidHMDB
D-(-)-3-Phosphoglyceric acidHMDB
D-Glycerate 3-phosphateHMDB
G3PHMDB
Glycerate-3-pHMDB
PhosphoglycerateHMDB
3-Phosphoglycerate, trisodium saltHMDB
3-Phosphoglycerate, (R)-isomerHMDB
3-Phosphoglycerate, monosodium saltHMDB
Chemical FormulaC3H7O7P
Average Molecular Mass186.057 g/mol
Monoisotopic Mass185.993 g/mol
CAS Registry Number820-11-1
IUPAC Name2-hydroxy-3-(phosphonooxy)propanoic acid
Traditional Namephosphoglycerate
SMILESOC(COP(O)(O)=O)C(O)=O
InChI IdentifierInChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
InChI KeyOSJPPGNTCRNQQC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Glyceric_acid
  • Monoalkyl phosphate
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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 Properties
PropertyValueSource
Water Solubility21 g/LALOGPS
logP-2.3ALOGPS
logP-1.6ChemAxon
logS-0.95ALOGPS
pKa (Strongest Acidic)1.3ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area124.29 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.26 m³·mol⁻¹ChemAxon
Polarizability13.29 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0002-0974000000-41479250991be9cc1e07Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0974000000-41479250991be9cc1e07Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0002-9200000000-2d6f0050126bbc72d771Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00fu-9081000000-487a9a33cdad68046ff3Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002k-9300000000-4fafb3c93719c5a41327Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-9000000000-c6bb9644e70a338c03beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-9d164579c98406ad7c88Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-cea59554251398a27835Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-8a976aaa2f56f074d975Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a5c-9500000000-4bd264fcf029200c55c6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9100000000-1a020681f04042ff6966Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-cea59554251398a27835Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-8a976aaa2f56f074d975Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a5c-9600000000-4bd264fcf029200c55c6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9100000000-1a020681f04042ff6966Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-8900000000-bd4e0c8adef56968d87aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-abd08e7a88ff6e65bc4bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-9000000000-f8afa9e495e0f6c94717Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9200000000-30ac9f237fd5b07a8ad8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-9000000000-623d31045a6d2723a66bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0005-9800000000-592cc43b2d6718b5e805Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-75f21a1b3e228e0af7f2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-3900000000-9d9dc94243143123d53bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kv-8900000000-b21c05dfded763ce62a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-c460ca316484eef90129Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-003r-5900000000-653e5055531f19df4952Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9100000000-15195031d70847a75881Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-59550676899d259aeab5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004j-9000000000-0b41dc890757740bbb51Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-a5e502a2627af2048a1fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-a5e502a2627af2048a1fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-e64736ac1f9d1f7dd9efNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-b24e251f42140de98cedNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9000000000-7c1557a43a172be0e63dNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, experimental)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2218.0 Log mg/kg [1200:3900]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
CEDs000542Brew Kettles?Brew kettles are large vessels used in the brewing process for boiling ingredients such as malt, hops, and water.Food, food processing & cookwarePubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000547Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000550Preparation Of Wort?The preparation of wort involves the extraction of sugars from malted grains, a crucial step in the brewing process.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000640Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000647Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
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
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
53 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Ribose-5-phosphate isomerase B structureClick to view 3D structureRibose-5-phosphate isomerase BP9WKD7Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.586
Applicability Domain
0.586
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
6-phosphogluconolactonase structureClick to view 3D structure6-phosphogluconolactonaseQ9GRG6Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.567
Applicability Domain
0.567
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Glucose-6-phosphate isomerase structureClick to view 3D structureGlucose-6-phosphate isomeraseQ9N1E2Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.441
Applicability Domain
0.441
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Fructose-bisphosphate aldolase, glycosomal structureClick to view 3D structureFructose-bisphosphate aldolase, glycosomalP07752Trypanosoma brucei bruceiPredicted (SEA)
Prediction Confidence Score
0.433
Applicability Domain
0.455
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureArabinose 5-phosphate isomerase KdsDQ5NGP7Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)Predicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
0.5
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Fructose-bisphosphate aldolase A structureClick to view 3D structureFructose-bisphosphate aldolase AP00883Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.412
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
2-dehydro-3-deoxyphosphooctonate aldolase structureClick to view 3D structure2-dehydro-3-deoxyphosphooctonate aldolaseQ9JZ55Neisseria meningitidis serogroup B (strain MC58)Predicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.389
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
6-phosphogluconate dehydrogenase, decarboxylating, putative structureClick to view 3D structure6-phosphogluconate dehydrogenase, decarboxylating, putativeP31072Trypanosoma bruceiPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.5
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.367
Applicability Domain
0.367
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.593
Statistical Significance
2.80e-04
Supporting Reference Compounds
24
E-value
2.17978
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.593
Statistical Significance
9.60e-04
Supporting Reference Compounds
38
E-value
7.47353
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.593
Statistical Significance
0.0019
Supporting Reference Compounds
69
E-value
14.7135
Triosephosphate isomerase structureClick to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.367
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
5.20e-04
Supporting Reference Compounds
1
E-value
4.04816
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.333
Statistical Significance
9.60e-04
Supporting Reference Compounds
21
E-value
7.47353
6-phosphogluconate dehydrogenase, decarboxylating structureClick to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP00349Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.359
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.333
Statistical Significance
0.0013
Supporting Reference Compounds
31
E-value
10.3539
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP04825Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.297 Low confidence
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.333
Statistical Significance
0.002
Supporting Reference Compounds
40
E-value
15.8812
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.289 Low confidence
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
6-phosphogluconate dehydrogenase, decarboxylating structureClick to view 3D structure6-phosphogluconate dehydrogenase, decarboxylatingP52209HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.5
Statistical Significance
1.30e-04
Supporting Reference Compounds
10
E-value
1.01204
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.333
Statistical Significance
0.0017
Supporting Reference Compounds
30
E-value
13.3122
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.29 Low confidence
Statistical Significance
1.30e-04
Supporting Reference Compounds
2
E-value
1.01204
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.297 Low confidence
Statistical Significance
1.10e-04
Supporting Reference Compounds
3
E-value
0.856341
Pyruvate kinase structureClick to view 3D structurePyruvate kinaseC6KTA4Plasmodium falciparum (isolate 3D7)KnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0000807
FooDB IDFDB022255
Phenol Explorer IDNot Available
KNApSAcK IDC00007286
BiGG ID34230
BioCyc IDNot Available
METLIN ID150
PDB IDNot Available
Wikipedia Link3-Phosphoglyceric_acid
Chemspider ID704
ChEBI ID17050
PubChem Compound ID724
Kegg Compound IDC00597
YMDB IDYMDB00341
ECMDB IDECMDB04131
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available