Difference between revisions of "CPD-1130"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1130 CPD-1130] == * smiles: ** CCC(C([O-])=O)C(C(=O)[O-])O * common name: ** 3-ethylmalate...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(C([O-])=O)C(C(=O)[O-])O | ** CCC(C([O-])=O)C(C(=O)[O-])O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 160.126 | ** 160.126 | ||
| + | * inchi key: | ||
| + | ** InChIKey=JUCRENBZZQKFGK-UHFFFAOYSA-L | ||
| + | * common name: | ||
| + | ** 3-ethylmalate | ||
* Synonym(s): | * Synonym(s): | ||
| Line 17: | Line 17: | ||
* [[RXN-18210]] | * [[RXN-18210]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.20015785.html 20015785] | ** [http://www.chemspider.com/Chemical-Structure.20015785.html 20015785] | ||
| Line 25: | Line 23: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01989 C01989] | ** [http://www.genome.jp/dbget-bin/www_bget?C01989 C01989] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145023 21145023] | ||
{{#set: smiles=CCC(C([O-])=O)C(C(=O)[O-])O}} | {{#set: smiles=CCC(C([O-])=O)C(C(=O)[O-])O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=160.126 }} | {{#set: molecular weight=160.126 }} | ||
| + | {{#set: inchi key=InChIKey=JUCRENBZZQKFGK-UHFFFAOYSA-L}} | ||
| + | {{#set: common name=3-ethylmalate}} | ||
{{#set: consumed by=RXN-14986}} | {{#set: consumed by=RXN-14986}} | ||
{{#set: reversible reaction associated=RXN-18210}} | {{#set: reversible reaction associated=RXN-18210}} | ||
Latest revision as of 13:59, 10 January 2019
Contents
Metabolite CPD-1130
- smiles:
- CCC(C([O-])=O)C(C(=O)[O-])O
- molecular weight:
- 160.126
- inchi key:
- InChIKey=JUCRENBZZQKFGK-UHFFFAOYSA-L
- common name:
- 3-ethylmalate
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCC(C([O-])=O)C(C(=O)[O-])O" cannot be used as a page name in this wiki.
