Difference between revisions of "HOMO-CIS-ACONITATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIS-ACONITATE HOMO-CIS-ACONITATE] == * smiles: ** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-] * c...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-] | ** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 185.113 | ** 185.113 | ||
| + | * inchi key: | ||
| + | ** InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K | ||
| + | * common name: | ||
| + | ** cis-homoaconitate | ||
* Synonym(s): | * Synonym(s): | ||
** 3-carboxyhex-2-enedioate | ** 3-carboxyhex-2-enedioate | ||
| Line 20: | Line 20: | ||
* [[HOMOACONITATE-HYDRATASE-RXN]] | * [[HOMOACONITATE-HYDRATASE-RXN]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.20117984.html 20117984] | ** [http://www.chemspider.com/Chemical-Structure.20117984.html 20117984] | ||
| Line 28: | Line 26: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04002 C04002] | ** [http://www.genome.jp/dbget-bin/www_bget?C04002 C04002] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21158450 21158450] | ||
{{#set: smiles=C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]}} | {{#set: smiles=C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=185.113 }} | {{#set: molecular weight=185.113 }} | ||
| + | {{#set: inchi key=InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K}} | ||
| + | {{#set: common name=cis-homoaconitate}} | ||
{{#set: common name=3-carboxyhex-2-enedioate|(Z)-but-1-ene-1,2,4-tricarboxylate|homo-cis-aconitate|(Z)-1,2,4-but-1-enetricarboxylic acid}} | {{#set: common name=3-carboxyhex-2-enedioate|(Z)-but-1-ene-1,2,4-tricarboxylate|homo-cis-aconitate|(Z)-1,2,4-but-1-enetricarboxylic acid}} | ||
{{#set: reversible reaction associated=HOMOACONITATE-HYDRATASE-RXN}} | {{#set: reversible reaction associated=HOMOACONITATE-HYDRATASE-RXN}} | ||
Latest revision as of 13:46, 10 January 2019
Contents
Metabolite HOMO-CIS-ACONITATE
- smiles:
- C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
- molecular weight:
- 185.113
- inchi key:
- InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K
- common name:
- cis-homoaconitate
- Synonym(s):
- 3-carboxyhex-2-enedioate
- (Z)-but-1-ene-1,2,4-tricarboxylate
- homo-cis-aconitate
- (Z)-1,2,4-but-1-enetricarboxylic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-" cannot be used as a page name in this wiki.
