Djenkolic acid

Details

• Internal ID: f50fb123-bcbc-42a9-a145-d510d6a5b689
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Cysteine and derivatives > L-cysteine-S-conjugates
• IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid
• InChI: InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
• InChI Key: JMQMNWIBUCGUDO-WHFBIAKZSA-N
• Popularity: 32 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄N₂O₄S₂
• Molecular Weight: 254.30 g/mol
• Exact Mass: 254.03949928 g/mol
• Topological Polar Surface Area (TPSA): 177.00 Ų
• XlogP: -5.60

Synonyms

• 498-59-9
• L-Djenkolic acid
• Djenkolate
• beta,beta'-Methylenedithiodialanine
• L-Djenkolate
• L-Cysteine thioacetal of formaldehyde
• 3,3'-(Methylenedithio)dialanine
• 3QHC9R0YFZ
• CHEBI:6211
• 3,3'-Methylenedithiobis(2-aminopropanoic acid)
• (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid
• UNII-3QHC9R0YFZ
• S,S'-Methylenebiscysteine
• s,s'-methylenebis-l-cysteine
• NSC-76076
• EINECS 207-863-4
• Alanine, 3,3'-(methylenedithio)di-
• NSC 76076
• DJENKOLIC ACID [MI]
• S,S'-methylenebis(cysteine)
• S,S'-Methylenedi-L-cysteine
• SCHEMBL151396
• S,S'-methylene-bis-L-cysteine
• CHEMBL3138615
• DTXSID80198075
• L-Cysteine, S,S'-methylenebis-
• s4954
• AKOS030538008
• Alanine, 3,3'-(methylenedithio)di-, L-
• HY-125923
• CS-0103073
• D0961
• C08275
• T70966
• Q4263761
• (2R,2'R)-3,3'-(methylenedisulfanediyl)bis(2-aminopropanoic acid)
• (2R,2'R)-3,3'-methylenebis(sulfanediyl)bis(2-aminopropanoic 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	94.57%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	91.18%	92.29%
CHEMBL4040	P28482	MAP kinase ERK2	89.65%	83.82%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.37%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.72%	99.17%
CHEMBL221	P23219	Cyclooxygenase-1	81.93%	90.17%
CHEMBL226	P30542	Adenosine A1 receptor	80.40%	95.93%
CHEMBL2581	P07339	Cathepsin D	80.16%	98.95%

Plants that contains it

• Archidendron bubalinum

Cross-Links

• PubChem: 68134
• LOTUS: LTS0071619
• wikiData: Q4263761