Difference between revisions of "CPD-6442"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] == * smiles: ** COC(C1(C=CC=CC=1O))=O * common name: ** methylsalicylate * i...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** COC(C1(C=CC=CC=1O))=O | ** COC(C1(C=CC=CC=1O))=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 152.149 | ** 152.149 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** methylsalicylate | ||
* Synonym(s): | * Synonym(s): | ||
** salicylate methyl ester | ** salicylate methyl ester | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808] | ||
| + | * METABOLIGHTS : MTBLC31832 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832] | ||
* HMDB : HMDB34172 | * HMDB : HMDB34172 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305] | ** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305] | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
{{#set: smiles=COC(C1(C=CC=CC=1O))=O}} | {{#set: smiles=COC(C1(C=CC=CC=1O))=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=152.149 }} | {{#set: molecular weight=152.149 }} | ||
| + | {{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=methylsalicylate}} | ||
{{#set: common name=salicylate methyl ester|methyl salicylate|1-O-methylsalicylate}} | {{#set: common name=salicylate methyl ester|methyl salicylate|1-O-methylsalicylate}} | ||
{{#set: consumed by=RXNQT-4366}} | {{#set: consumed by=RXNQT-4366}} | ||
Latest revision as of 14:47, 10 January 2019
Contents
Metabolite CPD-6442
- smiles:
- COC(C1(C=CC=CC=1O))=O
- molecular weight:
- 152.149
- inchi key:
- InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
- common name:
- methylsalicylate
- Synonym(s):
- salicylate methyl ester
- methyl salicylate
- 1-O-methylsalicylate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC31832
- PUBCHEM:
- CHEBI:
- HMDB : HMDB34172
- LIGAND-CPD:
