Difference between revisions of "2-METHYLMALEATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYLMALEATE 2-METHYLMALEATE] == * smiles: ** CC(=CC(=O)[O-])C(=O)[O-] * common name: ** cit...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=CC(=O)[O-])C(=O)[O-] | ** CC(=CC(=O)[O-])C(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 128.084 | ** 128.084 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HNEGQIOMVPPMNR-IHWYPQMZSA-L | ||
| + | * common name: | ||
| + | ** citraconate | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methylmaleate | ** 2-methylmaleate | ||
| Line 19: | Line 19: | ||
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]] | * [[R-2-METHYLMALATE-DEHYDRATASE-RXN]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461090 5461090] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461090 5461090] | ||
| − | * | + | * DRUGBANK : DB04734 |
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30719 30719] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30719 30719] | ||
| + | * GO-TERMS : (REFMET "Citraconic acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 498-23-7 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C02226 C02226] | ||
| + | * HMDB : HMDB00634 | ||
{{#set: smiles=CC(=CC(=O)[O-])C(=O)[O-]}} | {{#set: smiles=CC(=CC(=O)[O-])C(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=128.084 }} | {{#set: molecular weight=128.084 }} | ||
| + | {{#set: inchi key=InChIKey=HNEGQIOMVPPMNR-IHWYPQMZSA-L}} | ||
| + | {{#set: common name=citraconate}} | ||
{{#set: common name=2-methylmaleate|citraconic acid|methylmaleic acid}} | {{#set: common name=2-methylmaleate|citraconic acid|methylmaleic acid}} | ||
{{#set: reversible reaction associated=R-2-METHYLMALATE-DEHYDRATASE-RXN}} | {{#set: reversible reaction associated=R-2-METHYLMALATE-DEHYDRATASE-RXN}} | ||
Latest revision as of 14:31, 10 January 2019
Contents
Metabolite 2-METHYLMALEATE
- smiles:
- CC(=CC(=O)[O-])C(=O)[O-]
- molecular weight:
- 128.084
- inchi key:
- InChIKey=HNEGQIOMVPPMNR-IHWYPQMZSA-L
- common name:
- citraconate
- Synonym(s):
- 2-methylmaleate
- citraconic acid
- methylmaleic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- DRUGBANK : DB04734
- CHEBI:
- GO-TERMS : (REFMET "Citraconic acid" NIL midford 3701443689 NIL NIL)
- CAS : 498-23-7
- LIGAND-CPD:
- HMDB : HMDB00634
"CC(=CC(=O)[O-])C(=O)[O-" cannot be used as a page name in this wiki.
