4-(Phosphonooxy)-L-threonine

Details

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Internal ID 07890d90-afff-40e5-89da-553051fd9729
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
IUPAC Name (2S,3S)-2-amino-3-hydroxy-4-phosphonooxybutanoic acid
SMILES (Canonical) C(C(C(C(=O)O)N)O)OP(=O)(O)O
SMILES (Isomeric) C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O
InChI InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChI Key FKHAKIJOKDGEII-GBXIJSLDSA-N
Popularity 17 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10NO7P
Molecular Weight 215.10 g/mol
Exact Mass 215.01948866 g/mol
Topological Polar Surface Area (TPSA) 150.00 Ų
XlogP -5.80

Synonyms

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4-(Phosphonooxy)-threonine
O-Phospho-4-hydroxy-L-threonine
4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE
4-Phosphooxy-L-threonine
4-phosphonooxy-L-threonine
6917-68-6
4TP
SCHEMBL638119
4-(phosphohydroxy)-l-threonine
(2S,3S)-2-amino-3-hydroxy-4-phosphonooxybutanoic acid
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-(Phosphonooxy)-L-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 99.74% 83.82%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 96.26% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.13% 96.09%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 94.14% 94.01%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.36% 99.17%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 85.43% 91.71%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 440901
LOTUS LTS0124799
wikiData Q60864327