Difference between revisions of "CPD0-2461"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] == * smiles: ** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O...") |
(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 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
− | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == |
* smiles: | * smiles: | ||
− | ** | + | ** CC(C(C([O-])=O)=O)C |
* inchi key: | * inchi key: | ||
− | ** InChIKey= | + | ** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M |
* common name: | * common name: | ||
− | ** | + | ** 3-methyl-2-oxobutanoate |
* molecular weight: | * molecular weight: | ||
− | ** | + | ** 115.108 |
* Synonym(s): | * 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 consume the compound == | ||
− | * [[RXN- | + | * [[MTMOHT]] |
+ | * [[IPMS]] | ||
+ | * [[2-ISOPROPYLMALATESYN-RXN]] | ||
+ | * [[RXN-15635]] | ||
+ | * [[R01226]] | ||
+ | * [[1.2.1.25-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | * [[ | + | * [[DMHL]] |
+ | * [[DHAD_3mob_h]] | ||
+ | * [[DHAD_3mob]] | ||
+ | * [[DIHYDROXYISOVALDEHYDRAT-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
+ | * [[1.2.4.4-RXN]] | ||
+ | * [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]] | ||
+ | * [[KETOPANTOALDOLASE-RXN]] | ||
+ | * [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]] | ||
== External links == | == External links == | ||
− | * CAS : | + | * CAS : 759-05-7 |
− | * | + | * METABOLIGHTS : MTBLC11851 |
* PUBCHEM: | * PUBCHEM: | ||
− | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641] |
− | * HMDB : | + | * HMDB : HMDB00019 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
− | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141] |
+ | * CHEMSPIDER: | ||
+ | ** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810] | ||
* CHEBI: | * CHEBI: | ||
− | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851] |
− | * | + | * BIGG : 3mob |
− | {{#set: smiles= | + | {{#set: smiles=CC(C(C([O-])=O)=O)C}} |
− | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}} |
− | {{#set: common name= | + | {{#set: common name=3-methyl-2-oxobutanoate}} |
− | {{#set: molecular weight= | + | {{#set: molecular weight=115.108 }} |
− | {{#set: common name= | + | {{#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: | + | {{#set: consumed by=MTMOHT|IPMS|2-ISOPROPYLMALATESYN-RXN|RXN-15635|R01226|1.2.1.25-RXN}} |
− | {{#set: produced by= | + | {{#set: produced by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}} |
+ | {{#set: consumed or produced by=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}} |
Revision as of 17:38, 10 January 2018
Contents
Metabolite 2-KETO-ISOVALERATE
- smiles:
- CC(C(C([O-])=O)=O)C
- inchi key:
- InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
- common name:
- 3-methyl-2-oxobutanoate
- molecular weight:
- 115.108
- 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
- 1.2.4.4-RXN
- 3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN
- KETOPANTOALDOLASE-RXN
- BRANCHED-CHAINAMINOTRANSFERVAL-RXN
External links
- CAS : 759-05-7
- METABOLIGHTS : MTBLC11851
- PUBCHEM:
- HMDB : HMDB00019
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- BIGG : 3mob
"CC(C(C([O-])=O)=O)C" cannot be used as a page name in this wiki.