Difference between revisions of "DEHYDROQUINATE"
From metabolic_network
(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) * inchi key:...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) | ** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) | ||
| + | * molecular weight: | ||
| + | ** 189.144 | ||
* inchi key: | * inchi key: | ||
** InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M | ** InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M | ||
* common name: | * common name: | ||
** 3-dehydroquinate | ** 3-dehydroquinate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3-dehydroquinic acid | ** 3-dehydroquinic acid | ||
| Line 23: | Line 23: | ||
* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]] | * [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]] | ||
== External links == | == External links == | ||
| + | * BIGG : 3dhq | ||
* CAS : 10534-44-8 | * CAS : 10534-44-8 | ||
| − | |||
| − | |||
* HMDB : HMDB12710 | * HMDB : HMDB12710 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573866.html 4573866] | ** [http://www.chemspider.com/Chemical-Structure.4573866.html 4573866] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32364 32364] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32364 32364] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00944 C00944] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460271 5460271] | ||
{{#set: smiles=C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)}} | {{#set: smiles=C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)}} | ||
| + | {{#set: molecular weight=189.144 }} | ||
{{#set: inchi key=InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M}} | {{#set: inchi key=InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M}} | ||
{{#set: common name=3-dehydroquinate}} | {{#set: common name=3-dehydroquinate}} | ||
| − | |||
{{#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: 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=RXN-7967|3-DEHYDROQUINATE-SYNTHASE-RXN}} | {{#set: produced by=RXN-7967|3-DEHYDROQUINATE-SYNTHASE-RXN}} | ||
{{#set: reversible reaction associated=3-DEHYDROQUINATE-DEHYDRATASE-RXN}} | {{#set: reversible reaction associated=3-DEHYDROQUINATE-DEHYDRATASE-RXN}} | ||
Latest revision as of 17:24, 9 January 2019
Contents
Metabolite DEHYDROQUINATE
- smiles:
- C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)
- molecular weight:
- 189.144
- inchi key:
- InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M
- common name:
- 3-dehydroquinate
- 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
- BIGG : 3dhq
- CAS : 10534-44-8
- HMDB : HMDB12710
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)" cannot be used as a page name in this wiki.
