Difference between revisions of "CPD-9451"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] == * smiles: ** CC(C(C(=O)[O-])=CC(=O)[O-])C * inchi key: ** InChIKey=NJMGRJ...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C(C(=O)[O-])=CC(=O)[O-])C | ** CC(C(C(=O)[O-])=CC(=O)[O-])C | ||
| + | * molecular weight: | ||
| + | ** 156.138 | ||
* inchi key: | * inchi key: | ||
** InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L | ** InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L | ||
* common name: | * common name: | ||
** 2-isopropylmaleate | ** 2-isopropylmaleate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** β-isopropylmaleate | ** β-isopropylmaleate | ||
| Line 19: | Line 19: | ||
* [[RXN-8991]] | * [[RXN-8991]] | ||
== External links == | == External links == | ||
| − | * | + | * BIGG : 2ippm |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631] | ** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631] | ||
| + | * HMDB : HMDB12241 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392] | ** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611] | ||
{{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}} | {{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}} | ||
| + | {{#set: molecular weight=156.138 }} | ||
{{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}} | {{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}} | ||
{{#set: common name=2-isopropylmaleate}} | {{#set: common name=2-isopropylmaleate}} | ||
| − | |||
{{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}} | {{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}} | ||
{{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-8991}} | {{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-8991}} | ||
Latest revision as of 17:55, 9 January 2019
Contents
Metabolite CPD-9451
- smiles:
- CC(C(C(=O)[O-])=CC(=O)[O-])C
- molecular weight:
- 156.138
- inchi key:
- InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
- common name:
- 2-isopropylmaleate
- Synonym(s):
- β-isopropylmaleate
- 2-isopropylmaleic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- BIGG : 2ippm
- LIGAND-CPD:
- HMDB : HMDB12241
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
"CC(C(C(=O)[O-])=CC(=O)[O-])C" cannot be used as a page name in this wiki.
