loading...| Preferred Name |
acetone |
|
| Synonyms |
propan-2-one ACETONE Acetone acetone Pyroacetic ether Dimethylketon dimethylketone methyl ketone 2-Propanone Dimethyl ketone dimethylcetone beta-Ketopropane Aceton Azeton Propanon propanone |
|
| Definitions |
A methyl ketone that consists of propane bearing an oxo group at C2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_15347 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0001659 LIPID_MAPS_instance:LMFA12000057 CAS:67-64-1 PDBeChem:ACN Gmelin:1466 PMID:17190852 Beilstein:635680 Reaxys:635680 KEGG:D02311 KEGG:C00207 Wikipedia:Acetone MetaCyc:ACETONE PMID:17347819 UM-BBD_compID:c0556 |
|
| definition |
A methyl ketone that consists of propane bearing an oxo group at C2. |
|
| formula |
C3H6O |
|
| has exact synonym |
propan-2-one ACETONE Acetone acetone |
|
| has related synonym |
Pyroacetic ether Dimethylketon dimethylketone methyl ketone 2-Propanone Dimethyl ketone dimethylcetone beta-Ketopropane Aceton Azeton Propanon propanone |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_77941 |
|
| has_alternative_id |
CHEBI:13708 CHEBI:40571 CHEBI:22182 CHEBI:2398 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:15347 |
|
| in_subset | ||
| inchi |
InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
|
| inchikey |
CSCPPACGZOOCGX-UHFFFAOYSA-N |
|
| label |
acetone |
|
| mass |
58.07914 |
|
| monoisotopicmass |
58.04186 |
|
| notation |
CHEBI:15347 |
|
| prefLabel |
acetone |
|
| smiles |
CC(C)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_134179 http://purl.obolibrary.org/obo/CHEBI_26292 |