CHEBI:16605 - allyl alcohol

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ChEBI Name allyl alcohol
ChEBI ID CHEBI:16605
Definition A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2604, CHEBI:13763, CHEBI:19765
Supplier Information eMolecules:476222, ZINC000000901213
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Formula C3H6O
Net Charge 0
Average Mass 58.07914
Monoisotopic Mass 58.04186
InChI InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey XXROGKLTLUQVRX-UHFFFAOYSA-N
SMILES OCC=C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
fungicide
A substance used to destroy fungal pests.
Application(s): insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
herbicide
A substance used to destroy plant pests.
fungicide
A substance used to destroy fungal pests.
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ChEBI Ontology
Outgoing allyl alcohol (CHEBI:16605) has role antibacterial agent (CHEBI:33282)
allyl alcohol (CHEBI:16605) has role fungicide (CHEBI:24127)
allyl alcohol (CHEBI:16605) has role herbicide (CHEBI:24527)
allyl alcohol (CHEBI:16605) has role insecticide (CHEBI:24852)
allyl alcohol (CHEBI:16605) has role plant metabolite (CHEBI:76924)
allyl alcohol (CHEBI:16605) is a primary allylic alcohol (CHEBI:134394)
allyl alcohol (CHEBI:16605) is a propenol (CHEBI:26300)
Incoming allyl diphosphate (CHEBI:62888) has functional parent allyl alcohol (CHEBI:16605)
allyl octadecyl oxalate (CHEBI:84271) has functional parent allyl alcohol (CHEBI:16605)
allyl-UTP (CHEBI:62893) has functional parent allyl alcohol (CHEBI:16605)
IUPAC Name
prop-2-en-1-ol
Synonyms Sources
2-Propen-1-ol KEGG COMPOUND
2-Propenol ChemIDplus
2-Propenyl alcohol ChemIDplus
3-Hydroxypropene ChemIDplus
Allyl alcohol KEGG COMPOUND
allyl alcohol UniProt
Vinyl carbinol ChemIDplus
Vinylcarbinol ChemIDplus
Manual Xrefs Databases
2698 PPDB
ALLYL-ALCOHOL MetaCyc
Allyl_alcohol Wikipedia
C02001 KEGG COMPOUND
HMDB0031652 HMDB
View more database links
Registry Numbers Types Sources
107-18-6 CAS Registry Number KEGG COMPOUND
107-18-6 CAS Registry Number ChemIDplus
605307 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
01 February 2017