CHEBI:28885 - butan-1-ol

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ChEBI Name butan-1-ol
ChEBI ID CHEBI:28885
Definition A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39632, CHEBI:22936, CHEBI:612
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Formula C4H10O
Net Charge 0
Average Mass 74.12160
Monoisotopic Mass 74.07316
InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey LRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES CCCCO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
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ChEBI Ontology
Outgoing butan-1-ol (CHEBI:28885) has role human metabolite (CHEBI:77746)
butan-1-ol (CHEBI:28885) has role mouse metabolite (CHEBI:75771)
butan-1-ol (CHEBI:28885) has role protic solvent (CHEBI:48356)
butan-1-ol (CHEBI:28885) is a alkyl alcohol (CHEBI:50584)
butan-1-ol (CHEBI:28885) is a primary alcohol (CHEBI:15734)
butan-1-ol (CHEBI:28885) is a short-chain primary fatty alcohol (CHEBI:157770)
Incoming 4-chlorobutanol (CHEBI:87310) has functional parent butan-1-ol (CHEBI:28885)
n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885)
butamben (CHEBI:3231) has functional parent butan-1-ol (CHEBI:28885)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) has functional parent butan-1-ol (CHEBI:28885)
butyl acetate (CHEBI:31328) has functional parent butan-1-ol (CHEBI:28885)
butyl acrylate (CHEBI:3245) has functional parent butan-1-ol (CHEBI:28885)
butyl anthranilate (CHEBI:86192) has functional parent butan-1-ol (CHEBI:28885)
butyl butanoate (CHEBI:87429) has functional parent butan-1-ol (CHEBI:28885)
butyl butyryllactate (CHEBI:168668) has functional parent butan-1-ol (CHEBI:28885)
butyl dec-9-enoate (CHEBI:87291) has functional parent butan-1-ol (CHEBI:28885)
butyl formate (CHEBI:88514) has functional parent butan-1-ol (CHEBI:28885)
butyl hexanoate (CHEBI:89561) has functional parent butan-1-ol (CHEBI:28885)
butyl octanoate (CHEBI:87380) has functional parent butan-1-ol (CHEBI:28885)
butyl propionate (CHEBI:89831) has functional parent butan-1-ol (CHEBI:28885)
dibutyl phthalate (CHEBI:34687) has functional parent butan-1-ol (CHEBI:28885)
Monobutylphthalate (CHEBI:88522) has functional parent butan-1-ol (CHEBI:28885)
IUPAC Name
butan-1-ol
Synonyms Sources
1-Butanol KEGG COMPOUND
1-BUTANOL PDBeChem
1-butyl alcohol NIST Chemistry WebBook
1-hydroxybutane NIST Chemistry WebBook
BuOH IUPAC
butan-1-ol UniProt
n-butan-1-ol NIST Chemistry WebBook
n-Butanol KEGG COMPOUND
n-butyl alcohol ChemIDplus
n-Butylalkohol ChEBI
propyl carbinol ChemIDplus
Manual Xrefs Databases
1309 PPDB
1BO PDBeChem
BUTANOL MetaCyc
C06142 KEGG COMPOUND
D03200 KEGG DRUG
DB02145 DrugBank
HMDB0004327 HMDB
N-Butanol Wikipedia
View more database links
Registry Numbers Types Sources
25753 Gmelin Registry Number Gmelin
71-36-3 CAS Registry Number ChemIDplus
71-36-3 CAS Registry Number NIST Chemistry WebBook
969148 Reaxys Registry Number Reaxys
969148 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23980702 PubMed citation Europe PMC
7096503 PubMed citation Europe PMC
Last Modified
06 September 2021