NAV

Threonic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Threonic acid
DrugBank Accession Number
DB14228
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 136.103
Monoisotopic: 136.037173358
Chemical Formula
C4H8O5
Synonyms
  • 2,3,4-Trihydroxy-(threo)-butanoic acid
  • DL-threonic acid
  • Threo-2,3,4-trihydroxybutyric acid
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sodium threonateJDZ4B758OINot AvailableBTFOHNHDTVGCQS-LJUKVTEVSA-M

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
NTD0MI8XRT
CAS number
3909-12-4
InChI Key
JPIJQSOTBSSVTP-GBXIJSLDSA-N
InChI
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m1/s1
IUPAC Name
(2S,3R)-2,3,4-trihydroxybutanoic acid
SMILES
OC[C@@H](O)[C@H](O)C(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0000943
ChemSpider
133224
RxNav
1547557
ChEBI
49059
ZINC
ZINC000000901060
Wikipedia
Threonic_acid

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility488.0 mg/mLALOGPS
logP-2.1ALOGPS
logP-2.1Chemaxon
logS0.55ALOGPS
pKa (Strongest Acidic)3.4Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area97.99 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity26.35 m3·mol-1Chemaxon
Polarizability11.61 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-9400000000-a5900cd559efb87eae42
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-9000000000-88bb5eb9c881ce71c639
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-048c0088bf98cf0d24ee
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-9000000000-5a384cd83ea13a4e1ef6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052g-9000000000-06a92f38652e5b758fbb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9000000000-e955523692577adcf01a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-122.8700756
predicted
DarkChem Lite v0.1.0
[M-H]-117.4703585
predicted
DarkChem Standard v0.1.0
[M-H]-124.6852756
predicted
DarkChem Lite v0.1.0
[M-H]-122.6525756
predicted
DarkChem Lite v0.1.0
[M-H]-121.892136
predicted
DeepCCS 1.0 (2019)
[M+H]+122.6908756
predicted
DarkChem Lite v0.1.0
[M+H]+123.6168756
predicted
DarkChem Lite v0.1.0
[M+H]+124.2114756
predicted
DarkChem Lite v0.1.0
[M+H]+123.5980756
predicted
DarkChem Lite v0.1.0
[M+H]+125.757034
predicted
DeepCCS 1.0 (2019)
[M+Na]+122.2798756
predicted
DarkChem Lite v0.1.0
[M+Na]+122.8631756
predicted
DarkChem Lite v0.1.0
[M+Na]+124.3540756
predicted
DarkChem Lite v0.1.0
[M+Na]+122.4386756
predicted
DarkChem Lite v0.1.0
[M+Na]+134.78929
predicted
DeepCCS 1.0 (2019)

Drug created at July 04, 2018 22:59 / Updated at May 22, 2021 06:08