3-Hydroxyproline

Details

• Internal ID: c762e904-3000-4095-bda2-5e69562e47b3
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Proline and derivatives
• IUPAC Name: (2S)-3-hydroxypyrrolidine-2-carboxylic acid
• InChI: InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
• InChI Key: BJBUEDPLEOHJGE-BKLSDQPFSA-N
• Popularity: 287 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₉NO₃
• Molecular Weight: 131.13 g/mol
• Exact Mass: 131.058243149 g/mol
• Topological Polar Surface Area (TPSA): 69.60 Ų
• XlogP: -3.20

Synonyms

• (2S)-3-hydroxypyrrolidine-2-carboxylic acid
• L-Proline, 3-hydroxy-
• DTXSID20276427
• 62GP7W651S
• CHEBI:64368
• RefChem:911424
• DTXCID40227719
• 567-36-2
• 3-HYDROXY-L-PROLINE
• 14916-76-8
• SCHEMBL8088
• UNII-62GP7W651S
• Proline, 3-hydroxy- (VAN)
• CHEBI:20056
• Q27109279

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
CHEMBL4040	P28482	MAP kinase ERK2	93.96%	83.82%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.53%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.80%	96.09%
CHEMBL4394	Q9NYA1	Sphingosine kinase 1	86.70%	96.03%
CHEMBL340	P08684	Cytochrome P450 3A4	80.72%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.24%	93.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.09%	85.14%

Plants that contains it

• Brachystegia longifolia

Cross-Links

• PubChem: 150779
• LOTUS: LTS0229646
• wikiData: Q27109279