loading...| Preferred Name |
1-Butanol |
|
| Synonyms |
butan-1-ol n-Butylalkohol n-butyl alcohol n-butan-1-ol 1-hydroxybutane 1-butyl alcohol propyl carbinol 1-BUTANOL 1-Butanol BuOH n-Butanol |
|
| 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 |
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 |
|
| 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: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 | ||
| inchi |
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
|
| inchikey |
LRHPLDYGYMQRHN-UHFFFAOYSA-N |
|
| label |
1-Butanol butan-1-ol |
|
| mass |
74.12160 |
|
| monoisotopicmass |
74.07316 |
|
| notation |
CHEBI:28885 |
|
| prefLabel |
1-Butanol |
|
| smiles |
CCCCO |
|
| subClassOf |
http://purl.obolibrary.org/obo/OBI_0000047 |