Difference between revisions of "CPD-7030"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7030 CPD-7030] == * smiles: ** CC(C)C(CC([O-])=O)=O * common name: ** β-ketoisocaproat...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)C(CC([O-])=O)=O | ** CC(C)C(CC([O-])=O)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 129.135 | ** 129.135 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** β-ketoisocaproate | ||
* Synonym(s): | * Synonym(s): | ||
** 4-methyl-3-oxopentanoate | ** 4-methyl-3-oxopentanoate | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62222 62222] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62222 62222] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22019185 22019185] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03467 C03467] | ** [http://www.genome.jp/dbget-bin/www_bget?C03467 C03467] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.10755343.html 10755343] | ||
{{#set: smiles=CC(C)C(CC([O-])=O)=O}} | {{#set: smiles=CC(C)C(CC([O-])=O)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=129.135 }} | {{#set: molecular weight=129.135 }} | ||
| + | {{#set: inchi key=InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=β-ketoisocaproate}} | ||
{{#set: common name=4-methyl-3-oxopentanoate|3-oxo-4-methylpentanoate|β-oxo-4-methylcaproate}} | {{#set: common name=4-methyl-3-oxopentanoate|3-oxo-4-methylpentanoate|β-oxo-4-methylcaproate}} | ||
{{#set: consumed by=RXN-7691}} | {{#set: consumed by=RXN-7691}} | ||
{{#set: produced by=RXN-7690}} | {{#set: produced by=RXN-7690}} | ||
Latest revision as of 18:21, 9 January 2019
Contents
Metabolite CPD-7030
- smiles:
- CC(C)C(CC([O-])=O)=O
- molecular weight:
- 129.135
- inchi key:
- InChIKey=ZXLSKTZECNUVIS-UHFFFAOYSA-M
- common name:
- β-ketoisocaproate
- Synonym(s):
- 4-methyl-3-oxopentanoate
- 3-oxo-4-methylpentanoate
- β-oxo-4-methylcaproate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)C(CC([O-])=O)=O" cannot be used as a page name in this wiki.
