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Substance Name: Alliin
RN: 556-27-4
UNII: 7I4L2D0E9G
InChIKey: XUHLIQGRKRUKPH-DYEAUMGKSA-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
- 177.2214
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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/s1InChIKey
XUHLIQGRKRUKPH-DYEAUMGKSA-NSmiles
N[C@@H](C[S@@+]([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.