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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | butan-1-ol | |
| Synonyms |
1-butyl alcohol 1-hydroxybutane n-Butylalkohol 1-BUTANOL n-Butanol propyl carbinol n-butan-1-ol BuOH 1-Butanol n-butyl alcohol 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 |
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:N-Butanol PMID:7096503 HMDB:HMDB0004327 MetaCyc:BUTANOL DrugBank:DB02145 KEGG:D03200 CAS:71-36-3 Reaxys:969148 PMID:23980702 PDBeChem:1BO PPDB:1309 Gmelin:25753 KEGG:C06142
|
|
| 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 role |
http://purl.obolibrary.org/obo/CHEBI_77746 |
|
| has_alternative_id |
CHEBI:612 CHEBI:39632 CHEBI:22936
|
|
| has_exact_synonym |
butan-1-ol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
1-butyl alcohol 1-hydroxybutane n-Butylalkohol 1-BUTANOL n-Butanol propyl carbinol n-butan-1-ol BuOH 1-Butanol n-butyl alcohol
|
|
| id |
CHEBI:28885
|
|
| in_subset | ||
| 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
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_157770 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_157770 |
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