Difference between revisions of "3-KETOBUTYRATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] == * smiles: ** CC(=O)CC([O-])=O * inchi key: ** InChIKey=WDJHAL...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)CC([O-])=O | ** CC(=O)CC([O-])=O | ||
| + | * molecular weight: | ||
| + | ** 101.082 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M | ** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** acetoacetate | ** acetoacetate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3-ketobutyrate | ** 3-ketobutyrate | ||
| Line 27: | Line 27: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC13705 | * METABOLIGHTS : MTBLC13705 | ||
| − | * | + | * BIGG : acac |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164] | ** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164] | ||
| + | * HMDB : HMDB00060 | ||
| + | * UM-BBD-CPD : c0069 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896] | ** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705] | ||
| − | * | + | * CAS : 541-50-4 |
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017] | ||
{{#set: smiles=CC(=O)CC([O-])=O}} | {{#set: smiles=CC(=O)CC([O-])=O}} | ||
| + | {{#set: molecular weight=101.082 }} | ||
{{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}} | ||
{{#set: common name=acetoacetate}} | {{#set: common name=acetoacetate}} | ||
| − | |||
{{#set: common name=3-ketobutyrate|3-oxobutanate|oxobutyrate|acetoacetic acid|3-oxobutyric acid|3-oxobutanoic acid|diacetic acid|β-ketobutyric acid}} | {{#set: common name=3-ketobutyrate|3-oxobutanate|oxobutyrate|acetoacetic acid|3-oxobutyric acid|3-oxobutanoic acid|diacetic acid|β-ketobutyric acid}} | ||
{{#set: consumed by=ACETOACETATE-DECARBOXYLASE-RXN|ACETOACETATE--COA-LIGASE-RXN}} | {{#set: consumed by=ACETOACETATE-DECARBOXYLASE-RXN|ACETOACETATE--COA-LIGASE-RXN}} | ||
{{#set: produced by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN|FUMARYLACETOACETASE-RXN}} | {{#set: produced by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN|FUMARYLACETOACETASE-RXN}} | ||
Latest revision as of 17:32, 9 January 2019
Contents
Metabolite 3-KETOBUTYRATE
- smiles:
- CC(=O)CC([O-])=O
- molecular weight:
- 101.082
- inchi key:
- InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
- common name:
- acetoacetate
- Synonym(s):
- 3-ketobutyrate
- 3-oxobutanate
- oxobutyrate
- acetoacetic acid
- 3-oxobutyric acid
- 3-oxobutanoic acid
- diacetic acid
- β-ketobutyric acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC13705
- BIGG : acac
- LIGAND-CPD:
- HMDB : HMDB00060
- UM-BBD-CPD : c0069
- CHEMSPIDER:
- CHEBI:
- CAS : 541-50-4
- PUBCHEM:
"CC(=O)CC([O-])=O" cannot be used as a page name in this wiki.
