CHEBI:28411 - allicin

ChEBI IDCHEBI:28411
ChEBI Nameallicin
Stars
Secondary ChEBI IDsCHEBI:2595, CHEBI:22356
Last Modified15 July 2015
DownloadsMolfile
FormulaC6H10OS2
Net Charge0
Average Mass162.279
Monoisotopic Mass162.01731
SMILESC=CCSS(=O)CC=C
InChIInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKeyJDLKFOPOAOFWQN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
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  Source
AllicinKEGG COMPOUND
2-Propene-1-sulfinothioic acid S-2-propenyl esterKEGG COMPOUND
thio-2-propene-1-sulfinic acid S-allyl esterChEBI
UniProt Name  Source
allicinUniProt
Manual XrefsDatabases
C07600KEGG COMPOUND
C07600KEGG COMPOUND
C00001242KNApSAcK
Registry NumbersSources
Beilstein:1752823Beilstein
CAS:539-86-6KEGG COMPOUND
CAS:539-86-6ChemIDplus