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Chemical structure of Djenkolic acid

GC66192

Djenkolic acid

Also known as (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]sulfanylmethylsulfanyl]propanoic acid

Djenkolic acid is a sulfur-containing non-protein amino acid naturally found in the djenkol beans of the Southeast Asian plant Archidendron jiringa· Djenkolic Acid often causes renal injury, including hypersensitivity to or a direct toxic effect of a djenkol bean metabolite, resulting in acute kidney injury and/or urinary tract obstruction by djenkolic acid crystals, sludge, and/or possible ureteral spasms

ChemicalCAS498-59-9MW254.33FormulaC7H14N2O4S2
CAS number
498-59-9
Molecular weight
254.33
Formula
C7H14N2O4S2
Solubility
H2O : 25 mg/mL (98·30 mM; ultrasonic and adjust pH to 1 with HCl)
InChIKey
JMQMNWIBUCGUDO-WHFBIAKZSA-N
Catalogue number
GC66192
Brand
GLPBIO
Computed properties PubChem CID 68134 · XLogP -5.6 · TPSA 177 Ų · H-bond donors 4
XLogP
-5.6
TPSA
177 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
15

SMILES C([C@@H](C(=O)O)N)SCSC[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 68134), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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