L-djenkolic acid (CHEBI:6211)

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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

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.

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

Last Modified

20 November 2014