Difference between revisions of "CPD-8775"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8775 CPD-8775] == * smiles: ** CC1(=CC(=CC=C1)C(=O)[O-]) * common name: ** m-toluate * inch...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(=CC(=CC=C1)C(=O)[O-]) | ** CC1(=CC(=CC=C1)C(=O)[O-]) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 135.142 | ** 135.142 | ||
| + | * inchi key: | ||
| + | ** InChIKey=GPSDUZXPYCFOSQ-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** m-toluate | ||
* Synonym(s): | * Synonym(s): | ||
** 3-toluate | ** 3-toluate | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.5319533.html 5319533] | ** [http://www.chemspider.com/Chemical-Structure.5319533.html 5319533] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28795 28795] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28795 28795] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6946312 6946312] | ||
{{#set: smiles=CC1(=CC(=CC=C1)C(=O)[O-])}} | {{#set: smiles=CC1(=CC(=CC=C1)C(=O)[O-])}} | ||
| − | |||
| − | |||
{{#set: molecular weight=135.142 }} | {{#set: molecular weight=135.142 }} | ||
| + | {{#set: inchi key=InChIKey=GPSDUZXPYCFOSQ-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=m-toluate}} | ||
{{#set: common name=3-toluate|m-methylbenzoate|3-methylbenzoate|3-toluenecarboxylate|m-toluic acid}} | {{#set: common name=3-toluate|m-methylbenzoate|3-methylbenzoate|3-toluenecarboxylate|m-toluic acid}} | ||
{{#set: produced by=RXN-8583}} | {{#set: produced by=RXN-8583}} | ||
Latest revision as of 14:29, 10 January 2019
Contents
Metabolite CPD-8775
- smiles:
- CC1(=CC(=CC=C1)C(=O)[O-])
- molecular weight:
- 135.142
- inchi key:
- InChIKey=GPSDUZXPYCFOSQ-UHFFFAOYSA-M
- common name:
- m-toluate
- Synonym(s):
- 3-toluate
- m-methylbenzoate
- 3-methylbenzoate
- 3-toluenecarboxylate
- m-toluic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC1(=CC(=CC=C1)C(=O)[O-])" cannot be used as a page name in this wiki.
