2,4-Dihydroxybutanoic acid

Details

• Internal ID: c4402497-580d-4bf4-841d-68047ab8687a
• Taxonomy: Organic acids and derivatives > Hydroxy acids and derivatives > Short-chain hydroxy acids and derivatives
• IUPAC Name: 2,4-dihydroxybutanoic acid
• SMILES (Canonical): C(CO)C(C(=O)O)O
• SMILES (Isomeric): C(CO)C(C(=O)O)O
• InChI: InChI=1S/C4H8O4/c5-2-1-3(6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
• InChI Key: UFYGCFHQAXXBCF-UHFFFAOYSA-N
• Popularity: 47 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: -1.20

Synonyms

• 1518-62-3
• Butanoic acid, 2,4-dihydroxy-
• 2,4-dihydroxy-butanoic acid
• 2,4-Dihydroxybutyrate
• 2,4-Dihydroxybutyric acid
• 3-deoxytetronic acid
• 3-Deoxytetronate
• 2,4-Dihydroxybutanoate
• 2,4-dihydroxy-Butyrate
• 2,4-Dihydroxybutanoicacid
• 2,4-dihydroxy-Butyric acid
• SCHEMBL424600
• CHEBI:86348
• DTXSID40862684
• LMFA01050385
• (S)-2,4-DIHYDROXYBUTYRICACID
• SB84414
• Q27159094
• 766AB945-523E-40F3-8124-59AAE45F476A

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	89.06%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.94%	99.17%
CHEMBL2581	P07339	Cathepsin D	83.52%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.22%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	80.14%	83.82%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus subsp. corniculatus

Cross-Links

• PubChem: 192742
• LOTUS: LTS0258986
• wikiData: Q27159094