Difference between revisions of "CPD-3618"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3618 CPD-3618] == * smiles: ** CCCC(=O)C(=O)[O-] * common name: ** 2-oxovalerate * inchi ke...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCC(=O)C(=O)[O-] | ** CCCC(=O)C(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 115.108 | ** 115.108 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KDVFRMMRZOCFLS-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 2-oxovalerate | ||
* Synonym(s): | * Synonym(s): | ||
** 2-ketopentanoate | ** 2-ketopentanoate | ||
| Line 20: | Line 20: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[RXN-14986]] | * [[RXN-14986]] | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573917.html 4573917] | ** [http://www.chemspider.com/Chemical-Structure.4573917.html 4573917] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460364 5460364] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28644 28644] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28644 28644] | ||
| + | * CAS : 1821-02-9 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C06255 C06255] | ||
| + | * HMDB : HMDB01865 | ||
{{#set: smiles=CCCC(=O)C(=O)[O-]}} | {{#set: smiles=CCCC(=O)C(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=115.108 }} | {{#set: molecular weight=115.108 }} | ||
| + | {{#set: inchi key=InChIKey=KDVFRMMRZOCFLS-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=2-oxovalerate}} | ||
{{#set: common name=2-ketopentanoate|2-oxopentanoate|α-ketovaleric acid|2-ketovalerate|α-ketovalerate|a-ketovaleric acid}} | {{#set: common name=2-ketopentanoate|2-oxopentanoate|α-ketovaleric acid|2-ketovalerate|α-ketovalerate|a-ketovaleric acid}} | ||
| − | {{#set: produced by=RXN-14986 | + | {{#set: produced by=RXN-14986}} |
Latest revision as of 12:42, 10 January 2019
Contents
Metabolite CPD-3618
- smiles:
- CCCC(=O)C(=O)[O-]
- molecular weight:
- 115.108
- inchi key:
- InChIKey=KDVFRMMRZOCFLS-UHFFFAOYSA-M
- common name:
- 2-oxovalerate
- Synonym(s):
- 2-ketopentanoate
- 2-oxopentanoate
- α-ketovaleric acid
- 2-ketovalerate
- α-ketovalerate
- a-ketovaleric acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- CAS : 1821-02-9
- LIGAND-CPD:
- HMDB : HMDB01865
"CCCC(=O)C(=O)[O-" cannot be used as a page name in this wiki.
