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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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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 |
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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. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_28885 |
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alternative term |
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
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bearer_of |
http://purl.obolibrary.org/obo/CHEBI_77746 |
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charge |
0
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database_cross_reference |
KEGG:C06142 Reaxys:969148 Beilstein: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
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formula |
C4H10O
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has role |
http://purl.obolibrary.org/obo/CHEBI_77746 |
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has_alternative_id |
CHEBI:22936 CHEBI:39632 CHEBI:612
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has_exact_synonym |
butan-1-ol
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has_obo_namespace |
chebi_ontology
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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
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|
id |
CHEBI:28885
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in_subset | ||
inchi |
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
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|
inchikey |
LRHPLDYGYMQRHN-UHFFFAOYSA-N
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|
label |
butan-1-ol
|
|
mass |
74.12160
|
|
monoisotopicmass |
74.07316
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|
notation |
CHEBI:28885
|
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prefLabel |
butan-1-ol
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|
smiles |
CCCCO
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textual 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.
|
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_157770 |
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