Difference between revisions of "2-KETO-ISOVALERATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == * smiles: ** CC(C(C([O-])=O)=O)C * inchi key: ** InCh...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(C([O-])=O)=O)C | ** CC(C(C([O-])=O)=O)C | ||
| + | * molecular weight: | ||
| + | ** 115.108 | ||
* inchi key: | * inchi key: | ||
** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M | ** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** 3-methyl-2-oxobutanoate | ** 3-methyl-2-oxobutanoate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 2-oxo-3-methylbutanoate | ** 2-oxo-3-methylbutanoate | ||
| Line 24: | Line 24: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
* [[2-ISOPROPYLMALATESYN-RXN]] | * [[2-ISOPROPYLMALATESYN-RXN]] | ||
| − | |||
* [[RXN-7643]] | * [[RXN-7643]] | ||
| + | * [[1.2.1.25-RXN]] | ||
| + | * [[RXN-15635]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[DIHYDROXYISOVALDEHYDRAT-RXN]] | * [[DIHYDROXYISOVALDEHYDRAT-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]] | * [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]] | ||
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]] | * [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]] | ||
| + | * [[1.2.4.4-RXN]] | ||
== External links == | == External links == | ||
| − | |||
* METABOLIGHTS : MTBLC11851 | * METABOLIGHTS : MTBLC11851 | ||
| − | * | + | * BIGG : 3mob |
| − | * | + | * CAS : 759-05-7 |
* HMDB : HMDB00019 | * HMDB : HMDB00019 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810] | ** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641] | ||
{{#set: smiles=CC(C(C([O-])=O)=O)C}} | {{#set: smiles=CC(C(C([O-])=O)=O)C}} | ||
| + | {{#set: molecular weight=115.108 }} | ||
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}} | ||
{{#set: common name=3-methyl-2-oxobutanoate}} | {{#set: common name=3-methyl-2-oxobutanoate}} | ||
| − | |||
{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}} | {{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}} | ||
| − | {{#set: consumed by=1.2.1.25 | + | {{#set: consumed by=2-ISOPROPYLMALATESYN-RXN|RXN-7643|1.2.1.25-RXN|RXN-15635}} |
{{#set: produced by=DIHYDROXYISOVALDEHYDRAT-RXN}} | {{#set: produced by=DIHYDROXYISOVALDEHYDRAT-RXN}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN|1.2.4.4-RXN}} |
Latest revision as of 18:18, 9 January 2019
Contents
Metabolite 2-KETO-ISOVALERATE
- smiles:
- CC(C(C([O-])=O)=O)C
- molecular weight:
- 115.108
- inchi key:
- InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
- common name:
- 3-methyl-2-oxobutanoate
- Synonym(s):
- 2-oxo-3-methylbutanoate
- 2-oxoisovalerate
- α-keto-isovaleric acid
- α-ketoisopentanoic acid
- α-keto-isovalerate
- α-oxoisovalerate
- α-ketovaline
- 2-keto-isovalerate
- 2-ketovaline
- α-keto-valine
- 2-oxoisopentanoate
- 2-keto-3-methylbutyric acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC11851
- BIGG : 3mob
- CAS : 759-05-7
- HMDB : HMDB00019
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"CC(C(C([O-])=O)=O)C" cannot be used as a page name in this wiki.
