Difference between revisions of "DEHYDROQUINATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLAMIDE ACRYLAMIDE] == * smiles: ** C=CC(=O)N * inchi key: ** InChIKey=HRPVXLWXLXDGHG-UHFFFA...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] == * smiles: ** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) * common name...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] == |
* smiles: | * smiles: | ||
| − | ** C=CC( | + | ** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** 3-dehydroquinate |
| + | * inchi key: | ||
| + | ** InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 189.144 |
* Synonym(s): | * Synonym(s): | ||
| + | ** 3-dehydroquinic acid | ||
| + | ** 5-dehydroquinic acid | ||
| + | ** 5-dehydroquinate | ||
| + | ** 5-de-H-quinate | ||
| + | ** rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate | ||
== 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 == | ||
| − | * [[ | + | * [[QUINATE-5-DEHYDROGENASE-RXN]] |
| + | * [[RXN-7967]] | ||
| + | * [[3-DEHYDROQUINATE-SYNTHASE-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]] | ||
== External links == | == External links == | ||
| − | * | + | * CAS : 10534-44-8 |
| − | + | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460271 5460271] |
| − | * HMDB : | + | * HMDB : HMDB12710 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00944 C00944] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4573866.html 4573866] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32364 32364] |
| − | {{#set: smiles=C=CC(=O) | + | * BIGG : 3dhq |
| − | {{#set: inchi key=InChIKey= | + | {{#set: smiles=C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)}} |
| − | {{#set: | + | {{#set: common name=3-dehydroquinate}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M}} |
| − | {{#set: | + | {{#set: molecular weight=189.144 }} |
| − | {{#set: | + | {{#set: common name=3-dehydroquinic acid|5-dehydroquinic acid|5-dehydroquinate|5-de-H-quinate|rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate}} |
| + | {{#set: produced by=QUINATE-5-DEHYDROGENASE-RXN|RXN-7967|3-DEHYDROQUINATE-SYNTHASE-RXN}} | ||
| + | {{#set: reversible reaction associated=3-DEHYDROQUINATE-DEHYDRATASE-RXN}} | ||
Latest revision as of 21:04, 21 March 2018
Contents
Metabolite DEHYDROQUINATE
- smiles:
- C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)
- common name:
- 3-dehydroquinate
- inchi key:
- InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M
- molecular weight:
- 189.144
- Synonym(s):
- 3-dehydroquinic acid
- 5-dehydroquinic acid
- 5-dehydroquinate
- 5-de-H-quinate
- rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 10534-44-8
- PUBCHEM:
- HMDB : HMDB12710
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- BIGG : 3dhq
"C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)" cannot be used as a page name in this wiki.
