The Drug Ontology

Last uploaded: December 20, 2024
Preferred Name

butan-1-ol
Synonyms

n-Butylalkohol

n-butyl alcohol

n-butan-1-ol

1-hydroxybutane

1-butyl alcohol

propyl carbinol

1-BUTANOL

1-Butanol

BuOH

n-Butanol

butan-1-ol

Definitions

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.

ID

http://purl.obolibrary.org/obo/CHEBI_28885

alternative label

n-Butylalkohol

n-butyl alcohol

n-butan-1-ol

1-hydroxybutane

1-butyl alcohol

propyl carbinol

1-BUTANOL

1-Butanol

BuOH

n-Butanol

butan-1-ol

charge

0

database_cross_reference

KEGG:C06142

Reaxys:969148

PMID:23980702

KEGG:D03200

Gmelin:25753

MetaCyc:BUTANOL

PDBeChem:1BO

PMID:7096503

Wikipedia:N-Butanol

HMDB:HMDB0004327

CAS:71-36-3

DrugBank:DB02145

PPDB:1309

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.

formula

C4H10O

has characteristic

http://purl.obolibrary.org/obo/CHEBI_77746

http://purl.obolibrary.org/obo/CHEBI_75771

http://purl.obolibrary.org/obo/CHEBI_48356

has role

http://purl.obolibrary.org/obo/CHEBI_77746

http://purl.obolibrary.org/obo/CHEBI_75771

http://purl.obolibrary.org/obo/CHEBI_48356

has_alternative_id

CHEBI:22936

CHEBI:39632

CHEBI:612

has_exact_synonym

butan-1-ol

has_obo_namespace

chebi_ontology

has_related_synonym

n-Butylalkohol

n-butyl alcohol

n-butan-1-ol

1-hydroxybutane

1-butyl alcohol

propyl carbinol

1-BUTANOL

1-Butanol

BuOH

n-Butanol

has_RxCUI

1310579

id

CHEBI:28885

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

inchikey

LRHPLDYGYMQRHN-UHFFFAOYSA-N

label

butan-1-ol

mass

74.12160

monoisotopicmass

74.07316

notation

CHEBI:28885

prefLabel

butan-1-ol

smiles

CCCCO

subClassOf

http://purl.obolibrary.org/obo/CHEBI_157770

http://purl.obolibrary.org/obo/CHEBI_50584

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