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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 05:17, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 470463835 of page Alliin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 05:17, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 470463835 of page Alliin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 470463835 of page Alliin with values updated to verified values.

Alliin
Names
Alliin skeletal view
Alliin ball view
IUPAC name (2R)-2-amino-3-propanoic acid
Other names 3-(2-Propenylsulfinyl)alanine (S)-3-(2-Propenylsulfinyl)-L-alanine 3-((S)-Allylsulfinyl)-L-alanine S-Allyl-L-cysteine sulfoxide
Identifiers
3D model (JSmol)	Interactive image Interactive image
ChemSpider	7850537
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/s1Key: XUHLIQGRKRUKPH-DYEAUMGKSA-N InChI=1/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1Key: XUHLIQGRKRUKPH-DYEAUMGKBA
SMILES C=CCS(=O)CC(C(=O)O)N O=S(CC=C)C(C(=O)O)N
Properties
Chemical formula	C₆H₁₁NO₃S
Molar mass	177.22 g/mol
Appearance	White to off white crystalline powder
Melting point	163–165 °C (325–329 °F)
Solubility in water	Soluble
Hazards
NFPA 704 (fire diamond)	1 1 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound