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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | cyclohexanone | |
| Synonyms |
Ketocyclohexane Cyclohexyl ketone Oxocyclohexane Ketohexamethylene CYCLOHEXANONE cyclohexanone Cyclohexanone |
|
| Definitions |
A cyclic ketone that consists of cyclohexane bearing a single oxo substituent. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17854 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:21647476 Wikipedia:Cyclohexanone KEGG:C00414 Reaxys:385735 Patent:US2285914 PMID:20928898 PMID:21556397 PDBeChem:CYH PMID:21766129 Patent:US2223494 HMDB:HMDB0003315 CAS:108-94-1 PMID:7814101 Patent:US2223493 MetaCyc:CYCLOHEXANONE DrugBank:DB02060 UM-BBD_compID:c0195 Patent:GB310055 PPDB:1308
|
|
| definition |
A cyclic ketone that consists of cyclohexane bearing a single oxo substituent.
|
|
| formula |
C6H10O
|
|
| has role | ||
| has_alternative_id |
CHEBI:23481 CHEBI:4014 CHEBI:41770 CHEBI:14052
|
|
| has_exact_synonym |
CYCLOHEXANONE cyclohexanone Cyclohexanone
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Ketocyclohexane Cyclohexyl ketone Oxocyclohexane Ketohexamethylene
|
|
| id |
CHEBI:17854
|
|
| in_subset | ||
| inchi |
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
|
|
| inchikey |
JHIVVAPYMSGYDF-UHFFFAOYSA-N
|
|
| label |
cyclohexanone
|
|
| mass |
98.14300
|
|
| monoisotopicmass |
98.07316
|
|
| notation |
CHEBI:17854
|
|
| prefLabel |
cyclohexanone
|
|
| smiles |
O=C1CCCCC1
|
|
| treeView | ||
| subClassOf |
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