Difference between revisions of "CIS-ACONITATE"
From metabolic_network
(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-] * common name:...") |
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* smiles: | * smiles: | ||
** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] | ** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] | ||
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* molecular weight: | * molecular weight: | ||
** 171.086 | ** 171.086 | ||
| + | * inchi key: | ||
| + | ** InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K | ||
| + | * common name: | ||
| + | ** cis-aconitate | ||
* Synonym(s): | * Synonym(s): | ||
** (Z)-prop-1-ene-1,2,3-tricarboxylate | ** (Z)-prop-1-ene-1,2,3-tricarboxylate | ||
| Line 16: | Line 16: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[ACONITATEDEHYDR-RXN]] | ||
* [[ACONITATEHYDR-RXN]] | * [[ACONITATEHYDR-RXN]] | ||
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== External links == | == External links == | ||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582] | ** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816] | ||
* METABOLIGHTS : MTBLC16383 | * METABOLIGHTS : MTBLC16383 | ||
| + | * GO-TERMS : (REFMET "Cis-Aconitic acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 585-84-2 | ||
| + | * KNAPSACK : C00001177 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00417 C00417] | ||
| + | * HMDB : HMDB00072 | ||
| + | * BIGG : acon_C | ||
{{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}} | {{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=171.086 }} | {{#set: molecular weight=171.086 }} | ||
| + | {{#set: inchi key=InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K}} | ||
| + | {{#set: common name=cis-aconitate}} | ||
{{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}} | {{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=ACONITATEDEHYDR-RXN|ACONITATEHYDR-RXN}} |
Latest revision as of 14:24, 10 January 2019
Contents
Metabolite CIS-ACONITATE
- smiles:
- C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
- molecular weight:
- 171.086
- inchi key:
- InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
- common name:
- cis-aconitate
- 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
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
- METABOLIGHTS : MTBLC16383
- GO-TERMS : (REFMET "Cis-Aconitic acid" NIL midford 3701443689 NIL NIL)
- CAS : 585-84-2
- KNAPSACK : C00001177
- LIGAND-CPD:
- HMDB : HMDB00072
- BIGG : acon_C
"C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-" cannot be used as a page name in this wiki.
