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Substance Name: Alliin
RN: 556-27-4
UNII: 7I4L2D0E9G
InChIKey: XUHLIQGRKRUKPH-ITZCMCNPSA-N

Note

  • Nutritional supplement in diet; possible therapeutic use in anemia and splenic hypertrophy.

Classification Codes

  • Antineoplastic Agents
  • Hypoglycemic Agents

Molecular Formula

  • C6-H11-N-O3-S

Molecular Weight

  • 177.2229
 
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Names and Synonyms

Name of Substance

  • Alliin

Synonyms

  • (+)-L-Alliin
  • 3-(Allylsulfinyl)alanine
  • Alliin
  • EINECS 209-118-9
  • S-Allyl-L-cystein-S-oxide
  • S-Allyl-L-cysteine-(+)-sulfoxide
  • UNII-7I4L2D0E9G

Systematic Names

  • (S)-3-(Allylsulphinyl)-L-alanine
  • L-Alanine, 3-(2-propenylsulfinyl)-, (S)-
  • L-Cysteine, S-2-propen-1-yl-, S-oxide, (S(S))-

Registry Numbers

CAS Registry Number

  • 556-27-4

FDA UNII

  • 7I4L2D0E9G

Other Registry Number

  • 23358-38-5

System Generated Number

  • 0000556274

Structure Descriptors

InChI

1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1

InChIKey

XUHLIQGRKRUKPH-ITZCMCNPSA-N

Smiles

N[C@@H](C[S+]([O-])CC=C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 165 deg C   EXP
log P (octanol-water) -4.200 (none)   EST
Atmospheric OH Rate Constant 1.41E-10 cm3/molecule-sec 25 EST

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