allicin (CHEBI:28411)

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ChEBI Name	allicin

ChEBI ID	CHEBI:28411

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:2595, CHEBI:22356

Supplier Information

Download	Molfile XML SDF

Formula

C6H10OS2

Net Charge

Average Mass

162.27500

Monoisotopic Mass

162.01731

InChI

InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2

InChIKey

JDLKFOPOAOFWQN-UHFFFAOYSA-N

SMILES

C=CCSS(=O)CC=C

Roles Classification
Biological Role(s):	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via botanical anti-fungal agent ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via botanical anti-fungal agent )

ChEBI Ontology
Outgoing	allicin (CHEBI:28411) has role antibacterial agent (CHEBI:33282) allicin (CHEBI:28411) is a botanical anti-fungal agent (CHEBI:86494) allicin (CHEBI:28411) is a sulfoxide (CHEBI:22063)

IUPAC Name

S-allyl prop-2-ene-1-sulfinothioate

Synonyms	Sources
2-Propene-1-sulfinothioic acid S-2-propenyl ester	KEGG COMPOUND
Allicin	KEGG COMPOUND
thio-2-propene-1-sulfinic acid S-allyl ester	ChEBI

Last Modified

15 July 2015