CHEBI:28885 - butan-1-ol

ChEBI IDCHEBI:28885
ChEBI Namebutan-1-ol
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:612, CHEBI:22936, CHEBI:39632
Last Modified6 September 2021
DownloadsMolfile
FormulaC4H10O
Net Charge0
Average Mass74.123
Monoisotopic Mass74.07316
SMILESCCCCO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application:
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
n-butyl oleate (CHEBI:82946) has functional parent butan-1-ol (CHEBI:28885)
4-chlorobutanol (CHEBI:87310) 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  Source
1-ButanolKEGG COMPOUND
n-ButanolKEGG COMPOUND
1-butyl alcoholNIST Chemistry WebBook
1-BUTANOLPDBeChem
1-hydroxybutaneNIST Chemistry WebBook
BuOHIUPAC
UniProt Name  Source
butan-1-olUniProt
Manual XrefsDatabases
C06142KEGG COMPOUND
C06142KEGG COMPOUND
1BOPDBeChem
N-ButanolWikipedia
HMDB0004327HMDB
BUTANOLMetaCyc
DB02145DrugBank
D03200KEGG DRUG
1309PPDB
Registry NumbersSources
Gmelin:25753Gmelin
Reaxys:969148Reaxys
CAS:71-36-3ChemIDplus
CAS:71-36-3NIST Chemistry WebBook
Citations