Djenkolic acid
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Djenkolic acid
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CAS No:
498-59-9
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Formula:
C7H14N2O4S2
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Chemical Name:
Djenkolic acid
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Synonyms:
L-Cysteine,S,S′-methylenebis-;Alanine,3,3′-(methylenedithio)di-,L-;Djenkolic acid;Alanine,3,3′-(methylenedithio)di-;S,S′-Methylenebis[L-cysteine];3,3′-Methylenedithiobis(2-aminopropanoic acid);β,β′-Methylenedithiodialanine;L-Djenkolic acid;NSC 76076;13117-51-6;25717-42-4;50584-55-9
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CAS No:
Description
ChEBI: A dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene.
L-djenkolic acid is a dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. It has a role as a plant metabolite and a toxin. It is a dithioacetal, a L-cysteine derivative and a non-proteinogenic L-alpha-amino acid.
Characteristics
177.24000
0.63470
1.501g/cm3
325 °C (decomp)
515.4ºC at 760 mmHg
265.5ºC
-65 ° (C=1, 1mol/L HCl)
5g/L(100 ºC)
5.2E-12mmHg at 25°C
Computed Properties
Molecular Weight:254.3
XLogP3:-5.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:254.03949928
Monoisotopic Mass:254.03949928
Topological Polar Surface Area:177
Heavy Atom Count:15
Complexity:205
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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