Difference between revisions of "Ec-06 007860"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ARSENATE ARSENATE] == * smiles: ** [As](=O)(O)([O-])[O-] * inchi key: ** InChIKey=DJHGAFSJWGLOI...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] == * smiles: ** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] * inchi key: *...") |
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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=CIS-ACONITATE CIS-ACONITATE] == |
* smiles: | * smiles: | ||
| − | ** [ | + | ** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K |
* common name: | * common name: | ||
| − | ** | + | ** cis-aconitate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 171.086 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** (Z)-prop-1-ene-1,2,3-tricarboxylate |
| − | + | ** cis-aconitic acid | |
| − | ** | + | |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[ACONITATEHYDR-RXN]] | ||
| + | * [[ACONITATEDEHYDR-RXN]] | ||
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 585-84-2 |
| + | * BIGG : 34920 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816] |
| − | * HMDB : | + | * KNAPSACK : C00001177 |
| + | * HMDB : HMDB00072 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00417 C00417] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383] |
| − | * | + | * METABOLIGHTS : MTBLC16383 |
| − | {{#set: smiles=[ | + | {{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K}} |
| − | {{#set: common name= | + | {{#set: common name=cis-aconitate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=171.086 }} |
| − | {{#set: common name= | + | {{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}} |
| − | {{#set: | + | {{#set: reversible reaction associated=ACONITATEHYDR-RXN|ACONITATEDEHYDR-RXN}} |
Revision as of 21:24, 17 March 2018
Contents
Metabolite CIS-ACONITATE
- smiles:
- C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
- inchi key:
- InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
- common name:
- cis-aconitate
- molecular weight:
- 171.086
- Synonym(s):
- (Z)-prop-1-ene-1,2,3-tricarboxylate
- cis-aconitic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 585-84-2
- BIGG : 34920
- PUBCHEM:
- KNAPSACK : C00001177
- HMDB : HMDB00072
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC16383
"C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-" cannot be used as a page name in this wiki.
