Alliin

CAS Registry Number®

556-27-4

CAS Name

Alliin

Molecular Formula

C6H11NO3S

Molecular Mass

177.22

Cite this Page

Alliin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=556-27-4 (retrieved 2024-11-22) (CAS RN: 556-27-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

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

InChIKey=XUHLIQGRKRUKPH-DYEAUMGKSA-N

SMILES

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

Canonical SMILES

O=C(O)C(N)CS(=O)CC=C

Other Names for this Substance

  • L-Cysteine, S-2-propen-1-yl-, S-oxide, [S(S)]-
  • Alanine, 3-(allylsulfinyl)-, (S)-L-
  • L-Alanine, 3-(2-propenylsulfinyl)-, (S)-
  • Alanine, 3-(allylsulfinyl)-
  • L-Alanine, 3-[(S)-2-propenylsulfinyl]-

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Deleted or Replaced CAS Registry Numbers

23358-38-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration