CHEBI:6211 - L-djenkolic acid

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ChEBI Name L-djenkolic acid
ChEBI ID CHEBI:6211
ChEBI ASCII Name L-djenkolic acid
Definition A dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7381805, eMolecules:10141459, ZINC000001531043
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Formula C7H14N2O4S2
Net Charge 0
Average Mass 254.32700
Monoisotopic Mass 254.03950
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
InChIKey JMQMNWIBUCGUDO-WHFBIAKZSA-N
SMILES N[C@@H](CSCSC[C@H](N)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing L-djenkolic acid (CHEBI:6211) has role plant metabolite (CHEBI:76924)
L-djenkolic acid (CHEBI:6211) has role toxin (CHEBI:27026)
L-djenkolic acid (CHEBI:6211) is a L-cysteine derivative (CHEBI:83824)
L-djenkolic acid (CHEBI:6211) is a dithioacetal (CHEBI:59794)
L-djenkolic acid (CHEBI:6211) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name
(2R,2'R)-3,3'-(methylenedisulfanediyl)bis(2-aminopropanoic acid)
Synonyms Sources
3,3'-(Methylenedithio)dialanine ChemIDplus
3,3'-Methylenedithiobis(2-aminopropanoic acid) ChemIDplus
beta,beta'-Methylenedithiodialanine ChemIDplus
Djenkolic acid KEGG COMPOUND
L-Cysteine thioacetal of formaldehyde ChemIDplus
S,S'-methylene-bis-L-cysteine ChEBI
S,S'-methylenebis(cysteine) ChEBI
Manual Xrefs Databases
C00001356 KNApSAcK
C08275 KEGG COMPOUND
Djenkolic_acid Wikipedia
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Registry Numbers Types Sources
1713584 Reaxys Registry Number Reaxys
498-59-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
20 November 2014