loading...| Preferred Name | 4-heptanone | |
| Synonyms |
Dipropyl ketone heptan-4-one Di-n-propyl ketone Propyl ketone 4-Oxoheptane Butyrone |
|
| Definitions |
A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_89484 |
|
| alternative term |
Dipropyl ketone heptan-4-one Di-n-propyl ketone Propyl ketone 4-Oxoheptane Butyrone |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_84087 http://purl.obolibrary.org/obo/CHEBI_59163 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:26055441 PMID:27347408 PMID:27997626 PMID:27060700 CAS:123-19-3 KNApSAcK:C00035501 Wikipedia:4-Heptanone AGR:IND80034656 PMID:25818559 PMID:27779841 Reaxys:1699049 PMID:24591313 HMDB:HMDB0004814 PMID:18803420 PMID:27241792 PMID:27236897 PMID:15280519 PMID:11282094 PMID:15195467 PMID:6853657 PMID:28254044 PMID:28633145 |
|
| definition |
A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group. |
|
| formula |
C7H14O |
|
| has_exact_synonym |
heptan-4-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
Dipropyl ketone heptan-4-one Di-n-propyl ketone Propyl ketone 4-Oxoheptane Butyrone |
|
| id |
CHEBI:89484 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
|
| inchikey |
HCFAJYNVAYBARA-UHFFFAOYSA-N |
|
| label |
4-heptanone |
|
| mass |
114.186 |
|
| monoisotopicmass |
114.10447 |
|
| notation |
CHEBI:89484 |
|
| prefLabel |
4-heptanone |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_84087 http://purl.obolibrary.org/obo/CHEBI_59163 |
|
| smiles |
O=C(CCC)CCC |
|
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_89484 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_89484 | GO-PLUS | SAME_URI | |
| http://purl.obolibrary.org/obo/SIBO_0000022 | SIBO | LOOM | |
| http://phenomebrowser.net/ontologies/mesh/mesh.owl#C038029 | RH-MESH | LOOM | |
| http://purl.bioontology.org/ontology/MESH/C038029 | MESH | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_89484 | CHEBI | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_89484 | GO-PLUS | LOOM |