CHEBI:28411 - allicin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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Formula C6H10OS2
Net Charge 0
Average Mass 162.27500
Monoisotopic Mass 162.017
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 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 )
View more via ChEBI Ontology
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
Database Links Databases
C00001242 KNApSAcK
C07600 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1752823 Beilstein Registry Number ChemIDplus
539-86-6 CAS Registry Number KEGG COMPOUND
539-86-6 CAS Registry Number ChemIDplus
Last Modified
15 July 2015