CHEBI:15837 - isoamylol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoamylol
ChEBI ID CHEBI:15837
Definition An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43359, CHEBI:1597, CHEBI:11855, CHEBI:20125
Supplier Information
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Formula C5H12O
Net Charge 0
Average Mass 88.14818
Monoisotopic Mass 88.089
InChI InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey PHTQWCKDNZKARW-UHFFFAOYSA-N
SMILES CC(C)CCO
Metabolite of Species Details
Starmerella bacillaris (NCBI:txid1247836) From MetaboLights See: MetaboLights Study
Parastagonospora nodorum (NCBI:txid13684) See: PubMed
Vitis vinifera (NCBI:txid29760) From MetaboLights See: MetaboLights Study
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isoamylol (CHEBI:15837) has parent hydride isopentane (CHEBI:30362)
isoamylol (CHEBI:15837) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isoamylol (CHEBI:15837) has role antifungal agent (CHEBI:35718)
isoamylol (CHEBI:15837) has role xenobiotic metabolite (CHEBI:76206)
isoamylol (CHEBI:15837) is a alkyl alcohol (CHEBI:50584)
isoamylol (CHEBI:15837) is a primary alcohol (CHEBI:15734)
isoamylol (CHEBI:15837) is a volatile organic compound (CHEBI:134179)
Incoming 3-methylbutyl 2-hydroxypropanoate (CHEBI:87534) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl dodecanoate (CHEBI:87343) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl hexanoate (CHEBI:87542) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl octanoate (CHEBI:87536) has functional parent isoamylol (CHEBI:15837)
isoamyl acetate (CHEBI:31725) has functional parent isoamylol (CHEBI:15837)
isoamyl butyrate (CHEBI:87422) has functional parent isoamylol (CHEBI:15837)
isoamyl formate (CHEBI:31726) has functional parent isoamylol (CHEBI:15837)
isoamyl isobutyrate (CHEBI:87537) has functional parent isoamylol (CHEBI:15837)
isoamyl nitrite (CHEBI:2691) has functional parent isoamylol (CHEBI:15837)
isoamyl propanoate (CHEBI:87419) has functional parent isoamylol (CHEBI:15837)
IUPAC Name
3-methylbutan-1-ol
Synonyms Sources
1-HYDROXY-3-METHYLBUTANE PDBeChem
2-methyl-4-butanol ChemIDplus
3-methyl-1-butanol NIST Chemistry WebBook
3-Methylbutanol KEGG COMPOUND
3-methylbutanol UniProt
alcool isoamylique ChemIDplus
i-amyl alcohol NIST Chemistry WebBook
Iso-amylalkohol ChemIDplus
Isoamyl alcohol KEGG COMPOUND
isoamylol ChemIDplus
isobutylcarbinol ChemIDplus
isopentan-1-ol NIST Chemistry WebBook
isopentanol ChemIDplus
Isopentyl alcohol KEGG COMPOUND
Isopentylalkohol ChEBI
primary isoamyl alcohol ChemIDplus
Manual Xrefs Databases
C07328 KEGG COMPOUND
DB02296 DrugBank
HMDB0006007 HMDB
IP3 PDBeChem
YMDB00570 YMDB
View more database links
Registry Numbers Types Sources
123-51-3 CAS Registry Number ChemIDplus
123-51-3 CAS Registry Number NIST Chemistry WebBook
1718835 Reaxys Registry Number Reaxys
1718835 Beilstein Registry Number Beilstein
49460 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
23043843 PubMed citation Europe PMC
23698045 PubMed citation Europe PMC
24487533 PubMed citation Europe PMC
24767042 PubMed citation Europe PMC
24804072 PubMed citation Europe PMC
24862930 PubMed citation Europe PMC
Last Modified
19 July 2018