Difference between revisions of "4-TOLUENECARBOXYLATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-TOLUENECARBOXYLATE 4-TOLUENECARBOXYLATE] == * smiles: ** CC1(C=CC(=CC=1)C(=O)[O-]) * common n...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(C=CC(=CC=1)C(=O)[O-]) | ** CC1(C=CC(=CC=1)C(=O)[O-]) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 135.142 | ** 135.142 | ||
| + | * inchi key: | ||
| + | ** InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 4-toluenecarboxylate | ||
* Synonym(s): | * Synonym(s): | ||
** 4-methylbenzoate | ** 4-methylbenzoate | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28856 28856] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=154342 154342] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=154342 154342] | ||
| − | |||
| − | |||
* HMDB : HMDB29635 | * HMDB : HMDB29635 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01454 C01454] | ** [http://www.genome.jp/dbget-bin/www_bget?C01454 C01454] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.135981.html 135981] | ||
{{#set: smiles=CC1(C=CC(=CC=1)C(=O)[O-])}} | {{#set: smiles=CC1(C=CC(=CC=1)C(=O)[O-])}} | ||
| − | |||
| − | |||
{{#set: molecular weight=135.142 }} | {{#set: molecular weight=135.142 }} | ||
| + | {{#set: inchi key=InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=4-toluenecarboxylate}} | ||
{{#set: common name=4-methylbenzoate|p-toluate}} | {{#set: common name=4-methylbenzoate|p-toluate}} | ||
{{#set: produced by=RXN-8582}} | {{#set: produced by=RXN-8582}} | ||
Latest revision as of 11:11, 10 January 2019
Contents
Metabolite 4-TOLUENECARBOXYLATE
- smiles:
- CC1(C=CC(=CC=1)C(=O)[O-])
- molecular weight:
- 135.142
- inchi key:
- InChIKey=LPNBBFKOUUSUDB-UHFFFAOYSA-M
- common name:
- 4-toluenecarboxylate
- Synonym(s):
- 4-methylbenzoate
- p-toluate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC1(C=CC(=CC=1)C(=O)[O-])" cannot be used as a page name in this wiki.
