CHEBI:28885 - butan-1-ol

Main ChEBI Ontology Automatic Xrefs
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
Supplier Information
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Formula C4H10O
Net Charge 0
Average Mass 74.12160
InChI InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey LRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES CCCCO
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): 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 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)
Incoming n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885)
butyl acrylate (CHEBI:3245) has functional parent butan-1-ol (CHEBI:28885)
dibutyl phthalate (CHEBI:34687) 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
Database Links Databases
1BO PDBeChem
BUTANOL MetaCyc
C06142 KEGG COMPOUND
D03200 KEGG DRUG
DB02145 DrugBank
HMDB04327 HMDB
N-Butanol Wikipedia
View more database links
Registry Numbers Types Sources
25753 Gmelin Registry Number Gmelin
71-36-3 CAS Registry Number NIST Chemistry WebBook
71-36-3 CAS Registry Number ChemIDplus
969148 Reaxys Registry Number Reaxys
969148 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23980702 PubMed citation CiteXplore
7096503 PubMed citation CiteXplore
Last Modified
16 September 2014