D-glucaro-3,6-lactone (CED0142448)

Record Information
Version1.0
Creation Date2026-04-04 23:27:25 UTC
Update Date2026-04-04 23:27:25 UTC
SynCED IDCED0142448
Secondary Accession Numbers
  • CHEM084875
Identification
Common NameD-glucaro-3,6-lactone
ClassSmall Molecule
Description
D-glucaro-3,6-lactone belongs to the gamma butyrolactones, a subclass of lactones within the organic compounds. It is classified as an organoheterocyclic compound with the chemical formula C6H8O7.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H8O7
Average Molecular MassNot Available
Monoisotopic Mass192.027 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)
InChI KeyXECPAIJNBXCOBO-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
6637.0 Log mg/kg [3700:12000]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
CEDs01305Black TeaFood, food processing & cookwarePMC12127459
CEDs01778Kombucha TeaFood, food processing & cookwarePMC12127459 , PMC12127459
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 structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0228
Supporting Reference Compounds
42
E-value
177.185
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.226 Low confidence
Statistical Significance
3.60e-04
Supporting Reference Compounds
3
E-value
2.80257
Click to view 3D structureSialidase-1Q99519HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.211 Low confidence
Statistical Significance
6.10e-04
Supporting Reference Compounds
4
E-value
4.7488
Neuraminidase structureClick to view 3D structureNeuraminidaseQ3S340Influenza B virusPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.208 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
4
E-value
4.12601
Click to view 3D structureSialidase-3Q9UQ49HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
8
E-value
20.9414
Click to view 3D structureBeta-mannosidaseO00462HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
2
E-value
16.5819
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0436
Supporting Reference Compounds
45
E-value
339.111
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.243 Low confidence
Statistical Significance
0.1363
Supporting Reference Compounds
39
E-value
1060.77
Sialidase-2 structureClick to view 3D structureSialidase-2Q9Y3R4HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
5
E-value
8.79696
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0233
Supporting Reference Compounds
26
E-value
181.7
Glutamate transporter homolog structureClick to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.206 Low confidence
Statistical Significance
0.0036
Supporting Reference Compounds
3
E-value
28.2593
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.243 Low confidence
Statistical Significance
0.3892
Supporting Reference Compounds
85
E-value
3029.97
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0706
Supporting Reference Compounds
37
E-value
549.382
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0193
Supporting Reference Compounds
34
E-value
150.171
Click to view 3D structureSialidase-4Q8WWR8HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0018
Supporting Reference Compounds
5
E-value
13.7793
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.243 Low confidence
Statistical Significance
0.0528
Supporting Reference Compounds
24
E-value
410.888
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.243 Low confidence
Statistical Significance
0.3162
Supporting Reference Compounds
53
E-value
2461.28
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.185 Low confidence
Statistical Significance
0.019
Supporting Reference Compounds
1
E-value
147.758
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0317
Supporting Reference Compounds
30
E-value
246.704
Click to view 3D structureMetabotropic glutamate receptor 8P70579Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.243 Low confidence
Statistical Significance
0.1333
Supporting Reference Compounds
28
E-value
1038.12
Glutamate receptor 4 structureClick to view 3D structureGlutamate receptor 4P19493Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0176
Supporting Reference Compounds
25
E-value
136.703
Click to view 3D structureBeta-lactamase SHV-55Q4TVR4Klebsiella pneumoniaePredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.184 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.184 Low confidence
Statistical Significance
0.0527
Supporting Reference Compounds
41
E-value
410.265
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3Q14832HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.243 Low confidence
Statistical Significance
0.2457
Supporting Reference Compounds
40
E-value
1912.76
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.19 Low confidence
Statistical Significance
0.5809
Supporting Reference Compounds
136
E-value
4522.49
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available