L-Erythrulose

Details

• Internal ID: 194a853b-d5dc-42f3-9c8e-e9ed539b8785
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides
• IUPAC Name: (3S)-1,3,4-trihydroxybutan-2-one
• SMILES (Canonical): C(C(C(=O)CO)O)O
• SMILES (Isomeric): C([C@@H](C(=O)CO)O)O
• InChI: InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1
• InChI Key: UQPHVQVXLPRNCX-VKHMYHEASA-N
• Popularity: 288 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₈O₄
• Molecular Weight: 120.10 g/mol
• Exact Mass: 120.04225873 g/mol
• Topological Polar Surface Area (TPSA): 77.80 Ų
• XlogP: -2.00

Synonyms

• 533-50-6
• L-glycero-Tetrulose
• L-(+)-Erythrulose
• (3S)-1,3,4-trihydroxybutan-2-one
• (3S)-1,3,4-Trihydroxy-2-butanone
• UNII-WKK1W5B83O
• WKK1W5B83O
• (S)-1,3,4-Trihydroxybutan-2-one
• 2-Butanone, 1,3,4-trihydroxy-, (3S)-
• ERYTHRULOSE, L-
• FM-MH
• ERYTHRULOSE [INCI]
• L-ERYTHRULOSE [MI]
• ERYTHRULOSE, (+)-
• SCHEMBL439347
• CHEBI:27913
• UQPHVQVXLPRNCX-VKHMYHEASA-N
• DTXSID801019042
• BCP10464
• MFCD00004703
• AKOS028108990
• 2-Butanone,1,3,4-trihydroxy-,(3S)-
• L-(+)-Erythrulose, >=85% (HPLC)
• CS-0436802
• C02045
• EN300-7592871
• W-203014
• Q27103403
• Erythrulose, Pharmaceutical Secondary Standard; Certified Reference Material

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	90.89%	96.09%
CHEMBL2581	P07339	Cathepsin D	81.48%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	80.77%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.49%	96.95%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.15%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5460032
• LOTUS: LTS0057650
• wikiData: Q27103403