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.
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Formula C7H14N2O4S2
Net Charge 0
Average Mass 254.32700
Monoisotopic Mass 254.039
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.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via L-alpha-amino acid )
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 Types Sources
10555201 PubMed citation Europe PMC
15435518 PubMed citation Europe PMC
15672672 PubMed citation Europe PMC
20291097 PubMed citation Europe PMC
21744354 PubMed citation Europe PMC
24790471 PubMed citation Europe PMC
34890 PubMed citation Europe PMC
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Last Modified
20 November 2014