DL-Threonine

Details

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Internal ID bbea9482-a6b0-4f45-a82c-3849f647b1a3
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
IUPAC Name 2-amino-3-hydroxybutanoic acid
SMILES (Canonical) CC(C(C(=O)O)N)O
SMILES (Isomeric) CC(C(C(=O)O)N)O
InChI InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
InChI Key AYFVYJQAPQTCCC-UHFFFAOYSA-N
Popularity 400 references in papers

Physical and Chemical Properties

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Molecular Formula C4H9NO3
Molecular Weight 119.12 g/mol
Exact Mass 119.058243149 g/mol
Topological Polar Surface Area (TPSA) 83.60 Ų
XlogP -2.90

Synonyms

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2-amino-3-hydroxybutanoic acid
80-68-2
7004-04-8
H-DL-Thr-OH
DL-2-Amino-3-hydroxybutanoic acid
144-98-9
DL-allothreonine
H-DL-allo-Thr-OH
2-amino-3-hydroxy-butanoic acid
DL-allo-Threonine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of DL-Threonine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 96.00% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.46% 96.09%
CHEMBL2581 P07339 Cathepsin D 84.12% 98.95%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 82.87% 97.88%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.80% 85.14%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.48% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 80.46% 90.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abutilon indicum
Antirrhinum majus
Castanea sativa
Catha edulis
Colchicum trigynum
Glycine max
Lunaria annua
Onobrychis kachetica
Stellaria media
Viscum album

Cross-Links

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PubChem 205
LOTUS LTS0208404
wikiData Q27117433