O-phospho-L-threonine

Details

• Internal ID: c6d85415-5685-4828-b1c2-f8c3580caf4a
• 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,3R)-2-amino-3-phosphonooxybutanoic acid
• SMILES (Canonical): CC(C(C(=O)O)N)OP(=O)(O)O
• SMILES (Isomeric): C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O
• InChI: InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
• InChI Key: USRGIUJOYOXOQJ-GBXIJSLDSA-N
• Popularity: 2,795 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₁₀NO₆P
• Molecular Weight: 199.10 g/mol
• Exact Mass: 199.02457404 g/mol
• Topological Polar Surface Area (TPSA): 130.00 Ų
• XlogP: -4.70

Synonyms

• phosphothreonine
• 1114-81-4
• L-Threonine O-phosphate
• O-Phosphothreonine
• Threoninium dihydrogen phosphate
• threonine phosphate
• (2S,3R)-2-amino-3-(phosphonooxy)butanoic acid
• L-Threonine phosphate
• O-phosphono-L-threonine
• H-Thr(PO3H2)-OH
• L-Threonine O-3-phosphate
• phospho-l-threonine
• O3-phosphothreonine
• threonine phosphate ester
• (2S,3R)-2-amino-3-phosphonooxybutanoic acid
• 3L4WX7B1EI
• L-Threonine, dihydrogen phosphate (ester)
• L-2-Amino-3-hydroxybutanoic acid 3-phosphate
• (2S,3R)-2-amino-3-hydroxybutanoic acid 3-phosphate
• (S)-2-Amino-3-hydroxybutanoic acid 3-phosphate
• UNII-3L4WX7B1EI
• EINECS 214-217-5
• Synonyms Sources
• TREONIN FOSFATUM
• L-PHOSPHOTHREONINE
• L-O-PHOSPHOTHREONINE
• THREONINE, PHOSPHATE
• SCHEMBL42675
• CHEBI:37525
• THREONINE, DI-H PHOSPHATE
• L-THREONINE, O-PHOSPHONO-
• USRGIUJOYOXOQJ-GBXIJSLDSA-N
• MFCD00069578
• THREONINE PHOSPHATE [WHO-DD]
• AKOS006237893
• HY-113014
• CS-0059358
• (2S,3R)-2-amino-3-(phosphonooxy)butanoicacid
• J-002589
• Q21099038
• rel-(2S,3R)-2-Amino-3-(phosphonooxy)butanoic acid

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.09%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	91.40%	97.29%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	84.18%	97.88%
CHEMBL1907	P15144	Aminopeptidase N	83.29%	93.31%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.11%	93.56%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	82.59%	87.67%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.07%	100.00%

Plants that contains it

• Medicago sativa

Cross-Links

• PubChem: 3246323
• LOTUS: LTS0192076
• wikiData: Q21099038