L-THREONIC ACID


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

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

Assay Description	Organism	Bioactivity	Reference
Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate at 1 mM preincubated for 5 mins before substrate addition measured after 30 mins	Sus scrofa	30.0 %

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).