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Substance Name: Djenkolic acid
RN: 498-59-9
UNII: 3QHC9R0YFZ
InChIKey: JMQMNWIBUCGUDO-WHFBIAKZSA-N

Note

  • Amino acid isolated from djenkol bean.

Molecular Formula

  • C7-H14-N2-O4-S2

Molecular Weight

  • 254.33
 
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Names and Synonyms

Name of Substance

  • Djenkolic acid

Synonyms

  • 3,3'-Methylenedithiobis(2-aminopropanoic acid)
  • Alanine, 3,3'-(methylenedithio)di-
  • beta,beta'-Methylenedithiodialanine
  • Djenkolate
  • Djenkolic acid
  • EINECS 207-863-4
  • L-Cysteine thioacetal of formaldehyde
  • L-Djenkolate
  • L-Djenkolic acid
  • NSC 76076
  • UNII-3QHC9R0YFZ

Systematic Names

  • 3,3'-(Methylenedithio)dialanine
  • Alanine, 3,3'-(methylenedithio)di-, L- (8CI)
  • Djenkolic acid
  • L-Cysteine, S,S'-methylenebis- (9CI)

Registry Numbers

CAS Registry Number

  • 498-59-9

FDA UNII

  • 3QHC9R0YFZ

System Generated Number

  • 0000498599

Structure Descriptors

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

O=C([C@@H](N)CSCSC[C@@H](C(=O)O)N)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 325 dec deg C   EXP
log P (octanol-water) -4.410 (none)   EST
Atmospheric OH Rate Constant 1.54E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.