EcoDrugPlus


Synonyms	L-threonate L-threonic acid Threonate Threonic acid, l-
Status
Molecule Category	Free-form
UNII	75B0PMW2JF
EPA CompTox	DTXSID60223339

Synonyms

L-threonate

L-threonic acid

Threonate

Threonic acid, l-

Status

Molecule Category

Free-form

UNII

75B0PMW2JF

EPA CompTox

DTXSID60223339


InChI Key	JPIJQSOTBSSVTP-STHAYSLISA-N
Smiles	O=C(O)[C@H](O)[C@@H](O)CO
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

InChI Key

JPIJQSOTBSSVTP-STHAYSLISA-N

Smiles

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

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

Property Name	Value
Molecular Formula	C4H8O5
Molecular Weight	136.1
AlogP	-2.21
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	97.99
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H8O5

Molecular Weight

136.1

AlogP

-2.21

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

97.99

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

9.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	30

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Sus scrofa	-	-	-	-	30

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Sus scrofa

Resources	Reference
ChEBI	15908
ChEMBL	CHEMBL2152047
DrugBank	DB11192
FDA SRS	75B0PMW2JF
Human Metabolome Database	HMDB0062620
PDB	LTH
SureChEMBL	SCHEMBL925622
ZINC	ZINC000000901061

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

PDB

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

L-THREONIC ACID

Structure

Physicochemical Descriptors

Pharmacology

Cross References