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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

ChEBI Ontology
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