L-threonic acid

Identification

Brand Names

EnBrace HR, EnLyte

Generic Name

L-threonic acid

DrugBank Accession Number

DB11192

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

3D

Download

MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for L-threonic acid (DB11192)

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Weight

Average: 136.1033
Monoisotopic: 136.037173366

Chemical Formula

C₄H₈O₅

Synonyms

• (2R,3S)-2,3,4-trihydroxy-butanoic acid
• L-threonate
• L-threonic acid
• Threonate

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Pharmacology

Indication

Not Available

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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

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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

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Product Ingredients

Ingredient	UNII	CAS	InChI Key
Magnesium L-threonate	1Y26ZZ0OTM	778571-57-6	YVJOHOWNFPQSPP-BALCVSAKSA-L

Active Moieties

Name	Kind	UNII	CAS	InChI Key
Threonic acid	unknown	NTD0MI8XRT	3909-12-4	JPIJQSOTBSSVTP-GBXIJSLDSA-N

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
EnBrace HR	Magnesium L-threonate (1 mg/1) + 1,2-docosahexanoyl-sn-glycero-3-phosphoserine calcium (6.4 mg/1) + 1,2-icosapentoyl-sn-glycero-3-phosphoserine calcium (800 ug/1) + Betaine (500 ug/1) + Cobamamide (50 ug/1) + Cocarboxylase (25 ug/1) + Ferrous cysteine glycinate (13.6 mg/1) + Flavin adenine dinucleotide (25 ug/1) + Folic acid (1 mg/1) + Leucovorin (2.5 mg/1) + Levomefolate magnesium (5.23 mg/1) + Magnesium ascorbate (24 mg/1) + NADH (25 ug/1) + Phosphatidyl serine (12 mg/1) + Pyridoxal phosphate (25 ug/1) + Zinc ascorbate (1 mg/1)	Capsule, delayed release pellets	Oral	Jaymac Pharma	2011-08-12	Not applicable
Puralor	Magnesium L-threonate (2.5 mg/1) + 1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphocholine (5 mg/1) + 1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine (2.5 mg/1) + Acetylcysteine amide (5 mg/1) + Ascorbic acid (25 mg/1) + Cholecalciferol (100 [iU]/1) + Citric acid (1.6 mg/1) + Cobamamide (2 mg/1) + Egg phospholipids (42.5 mg/1) + Folic acid (42.5 mg/1) + Gastric intrinsic factor (2.5 mg/1) + Leucovorin (3 mg/1) + Levomefolic acid (0.4 mg/1) + Magnesium glycinate (1 mg/1) + Niacin (0.5 mg/1) + Pantethine (2.5 mg/1) + Papain (20 mg/1) + Riboflavin (0.5 mg/1) + Sodium citrate (0.8 mg/1) + Thiamine chloride (0.5 mg/1)	Tablet, chewable	Oral	Centurion Labs	2014-01-01	2017-09-20

Categories

Drug Categories

• Acids, Acyclic
• Fatty Acids
• Fatty Acids, Volatile
• Lipids

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Short-chain hydroxy acids and derivatives / Beta hydroxy acids and derivatives / Monosaccharides / Fatty acids and conjugates / Alpha hydroxy acids and derivatives / Secondary alcohols / Polyols / Monocarboxylic acids and derivatives / Carboxylic acids / Primary alcohols / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds

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Substituents

Alcohol / Aliphatic acyclic compound / Alpha-hydroxy acid / Beta-hydroxy acid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Fatty acid / Hydrocarbon derivative / Hydroxy acid / Monocarboxylic acid or derivatives / Monosaccharide / Organic oxide / Polyol / Primary alcohol / Secondary alcohol / Short-chain hydroxy acid / Sugar acid

show 8 more

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

threonic acid (CHEBI:15908)

Affected organisms

Not Available

Chemical Identifiers

UNII

75B0PMW2JF

CAS number

7306-96-9

InChI Key

JPIJQSOTBSSVTP-STHAYSLISA-N

InChI

InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1

IUPAC Name

(2R,3S)-2,3,4-trihydroxybutanoic acid

SMILES

[H][C@](O)(CO)[C@@]([H])(O)C(O)=O

References

General References

Not Available

External Links

Human Metabolome Database

HMDB0062620

ChemSpider

4573940

BindingDB

50392477

RxNav

1547558

ChEBI

15908

ChEMBL

CHEMBL2152047

ZINC

ZINC000000901061

PDBe Ligand

LTH

Wikipedia

Threonic_acid

PDB Entries

4pe6

Clinical Trials

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

Phase	Status	Purpose	Conditions	Count
4	Withdrawn	Treatment	Menstrual Related Mood Disorder / Premenstrual Dysphoric Disorder (PMDD) / Premenstrual Syndrome (PMS) / Premenstrual tension with edema	1
2	Completed	Treatment	Attention Deficit Hyperactivity Disorder (ADHD)	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Capsule, liquid filled	Oral
Capsule, delayed release pellets	Oral
Tablet, chewable	Oral

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	488.0 mg/mL	ALOGPS
logP	-2.1	ALOGPS
logP	-2.1	Chemaxon
logS	0.55	ALOGPS
pKa (Strongest Acidic)	3.4	Chemaxon
pKa (Strongest Basic)	-3	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	5	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	97.99 Å2	Chemaxon
Rotatable Bond Count	3	Chemaxon
Refractivity	26.35 m3·mol-1	Chemaxon
Polarizability	11.61 Å3	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
GC-MS Spectrum - GC-MS (4 TMS)	GC-MS	splash10-0gc3-1980000000-1134cc7dbfebc81101f0
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-08i0-9000000000-8d139618fe1977b7f75c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0005-9400000000-a5900cd559efb87eae42
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00b9-9000000000-88bb5eb9c881ce71c639
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-048c0088bf98cf0d24ee
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ab9-9000000000-5a384cd83ea13a4e1ef6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052g-9000000000-06a92f38652e5b758fbb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4l-9000000000-e955523692577adcf01a
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	122.7421756	predicted	DarkChem Lite v0.1.0
[M-H]-	123.7691756	predicted	DarkChem Lite v0.1.0
[M-H]-	122.8303756	predicted	DarkChem Lite v0.1.0
[M-H]-	124.7687756	predicted	DarkChem Lite v0.1.0
[M-H]-	122.25959	predicted	DeepCCS 1.0 (2019)
[M+H]+	123.5465756	predicted	DarkChem Lite v0.1.0
[M+H]+	124.2725756	predicted	DarkChem Lite v0.1.0
[M+H]+	123.5619756	predicted	DarkChem Lite v0.1.0
[M+H]+	126.9797756	predicted	DarkChem Lite v0.1.0
[M+H]+	126.1245	predicted	DeepCCS 1.0 (2019)
[M+Na]+	122.1962756	predicted	DarkChem Lite v0.1.0
[M+Na]+	123.2097756	predicted	DarkChem Lite v0.1.0
[M+Na]+	122.3049756	predicted	DarkChem Lite v0.1.0
[M+Na]+	125.0860756	predicted	DarkChem Lite v0.1.0
[M+Na]+	135.17473	predicted	DeepCCS 1.0 (2019)

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Drug created at December 03, 2015 16:51 / Updated at June 12, 2020 16:53