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Amino acids and derivatives

Alliin

Also known as (+)-L-Alliin, (S)-3-(Allylsulphinyl)-L-alanine, 3-(Allylsulfinyl)alanine

CAS 556-27-4Formula C6H11NO3SMolar mass 177.23 g/molEC 209-118-9
GHS signal word: Warning. Pictograms: Harmful or irritant 12 suppliers listed
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Alliin chemical structure, C6H11NO3S, CAS 556-27-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
556-27-4
Formula
C6H11NO3S
Molar mass
177.23 g/mol
EC number
209-118-9
HS code
293090
Category
Amino acids and derivatives

What is Alliin?

Plain description, key identifiers and synonyms

Alliin is an L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group. It has a role as an antioxidant, an antimicrobial agent, a neuroprotective agent, a plant metabolite and a cardioprotective agent. It is a sulfoxide, an olefinic compound, a L-cysteine derivative, a non-proteinogenic alpha-amino acid and a L-alanine derivative. It is a tautomer of an alliin zwitterion.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
CAS number
556-27-4 CAS number cross-checked
EC number
209-118-9
Molecular formula
C6H11NO3S
UNII
7I4L2D0E9G
MDL number
MFCD01311056
InChIKey
XUHLIQGRKRUKPH-DYEAUMGKSA-N
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
Canonical SMILES
C=CCS(=O)CC(N)C(=O)O
Isomeric SMILES
C=CC[S@](=O)C[C@@H](C(=O)O)N

Synonyms

  • (+)-L-Alliin
  • (S)-3-(Allylsulphinyl)-L-alanine
  • 3-(Allylsulfinyl)alanine
  • S-Allyl-L-cystein-S-oxide
  • S-Allyl-L-cysteine-(+)-sulfoxide
  • Alanine, 3-(allylsulfinyl)-
  • (S)-S-Allyl-L-cysteine sulfoxide
  • L-Alanine, 3-(2-propenylsulfinyl)-, (S)-
  • L-Cysteine, S-2-propen-1-yl-, S-oxide, (S(S))-
  • (2R)-2-Amino-3-((S)-prop-2-enylsulfinyl)propanoic acid
  • S-Allylcysteine sulfoxide
  • (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid
  • S-(2-Propenyl)cysteine sulfoxide
  • (2R)-2-azaniumyl-3-prop-2-enylsulfinylpropanoate
  • (2R)-2-azaniumyl-3-((S)-prop-2-enylsulfinyl)propanoate
  • (2R)-3-allylsulfinyl-2-amino-propanoic acid
  • PCSO
  • ((S)-allylsulfinyl)-D-alanine
  • (+)-Alliin
  • (R)-3-((S)-Allylsulfinyl)-2-aminopropanoic acid
  • S-Allyl-L-cysteine sulfoxide
  • 3-[(S)-prop-2-ene-1-sulfinyl]-L-alanine
  • (2R)-3-[(S)-allylsulfinyl]-2-amino-propanoic acid
  • ACSO
  • 3-[(S)-2-propenylsulfinyl]-L-alanine
Show all 35 synonyms
  • L-Alanine, 3-[(S)-2-propenylsulfinyl]-
  • L-Alanine, 3-((S)-2-propenylsulfinyl)-
  • S-allyl-l-cysteine sulphoxide
  • Alliin (Standard)
  • (+/-)-L-Alliin, >=90% (HPLC)
  • L-(+)-Alliin
  • (A+/-)-L-Alliin
  • S-Allyl-L-cysteine-S-oxide
  • (S)-3-(2-Propenylsulfinyl)-L-alanine
  • Alliin (constituent of garlic)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
177.23 g/molcalc.
Exact mass
177.046 Dacalc.
LogP (octanol/water)
-0.67calc.
Topological polar surface area
80.39 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
11calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Alliin suppliers

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All 12 suppliers
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Where suppliers are based

12 suppliers in 3 countries

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Alliin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents
  • Hypoglycemic Agents

Roles

  • antimicrobial agent
  • antioxidant
  • cardioprotective agent
  • eukaryotic metabolite
  • metabolite
  • neuroprotective agent
  • pharmaceutical
  • plant metabolite
  • protective agent

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Alliin is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Alliin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Alliin, based on the data on this page

What is Alliin?

Alliin is an L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group. It has a role as an antioxidant, an antimicrobial agent, a neuroprotective agent, a plant metabolite and a cardioprotective agent.

What is the CAS number of Alliin?

The CAS registry number of Alliin is 556-27-4.

What is the molecular formula and weight of Alliin?

The molecular formula of Alliin is C6H11NO3S and its molar mass is 177.23 g/mol.

What is Alliin used for?

Known uses and roles of Alliin include antimicrobial agent, antioxidant, cardioprotective agent, eukaryotic metabolite, metabolite and 6 more.

Is Alliin hazardous?

Alliin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Alliin?

Alliin is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Alliin?

CompoundList lists 12 suppliers of Alliin in United States, China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Alliin?

Suppliers quote Alliin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Alliin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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