Difference between revisions of "CPD-698"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXANONE CYCLOHEXANONE] == * smiles: ** C1(CCC(CC1)=O) * inchi key: ** InChIKey=JHIVVAPYMS...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] == * smiles: ** CCC(O)(C)C(C([O-])=O)O * commo...") |
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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=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCC(O)(C)C(C([O-])=O)O |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** (R)-2,3-dihydroxy-3-methylpentanoate |
| + | * inchi key: | ||
| + | ** InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 147.15 |
* Synonym(s): | * Synonym(s): | ||
| + | ** (R)-2,3-dihydroxy-3-methylvalerate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[DIHYDROXYMETVALDEHYDRAT-RXN]] |
| + | * [[DHAD]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[ACETOOHBUTREDUCTOISOM-RXN]] | ||
| + | * [[R05068]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145376 21145376] |
| − | * HMDB : | + | * HMDB : HMDB12140 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C06007 C06007] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.13641636.html 13641636] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49258 49258] |
| − | * | + | * BIGG : 23dhmp |
| − | {{#set: smiles= | + | {{#set: smiles=CCC(O)(C)C(C([O-])=O)O}} |
| − | {{#set: | + | {{#set: common name=(R)-2,3-dihydroxy-3-methylpentanoate}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=147.15 }} |
| − | {{#set: consumed by= | + | {{#set: common name=(R)-2,3-dihydroxy-3-methylvalerate}} |
| + | {{#set: consumed by=DIHYDROXYMETVALDEHYDRAT-RXN|DHAD}} | ||
| + | {{#set: produced by=ACETOOHBUTREDUCTOISOM-RXN|R05068}} | ||
Revision as of 16:58, 21 March 2018
Contents
Metabolite 1-KETO-2-METHYLVALERATE
- smiles:
- CCC(O)(C)C(C([O-])=O)O
- common name:
- (R)-2,3-dihydroxy-3-methylpentanoate
- inchi key:
- InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
- molecular weight:
- 147.15
- Synonym(s):
- (R)-2,3-dihydroxy-3-methylvalerate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- HMDB : HMDB12140
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- BIGG : 23dhmp
"CCC(O)(C)C(C([O-])=O)O" cannot be used as a page name in this wiki.
