Difference between revisions of "RXN-10708"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MALEATE MALEATE] == * smiles: ** C([O-])(=O)C=CC([O-])=O * inchi key: ** InChIKey=VZCYOOQTPOCHF...") |
(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 * inchi key: ** InChIKey=OSWPMRLSEDHDF...") |
||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] == |
* smiles: | * smiles: | ||
| − | ** | + | ** COC(C1(C=CC=CC=1O))=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N |
* common name: | * common name: | ||
| − | ** | + | ** methylsalicylate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 152.149 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** salicylate methyl ester |
| − | ** | + | ** methyl salicylate |
| + | ** 1-O-methylsalicylate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXNQT-4366]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133] |
| − | * HMDB : | + | * HMDB : HMDB34172 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832] |
| − | {{#set: smiles= | + | * METABOLIGHTS : MTBLC31832 |
| − | {{#set: inchi key=InChIKey= | + | {{#set: smiles=COC(C1(C=CC=CC=1O))=O}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: common name=methylsalicylate}} |
| − | {{#set: common name= | + | {{#set: molecular weight=152.149 }} |
| − | {{#set: | + | {{#set: common name=salicylate methyl ester|methyl salicylate|1-O-methylsalicylate}} |
| + | {{#set: consumed by=RXNQT-4366}} | ||
Revision as of 19:56, 18 March 2018
Contents
Metabolite CPD-6442
- smiles:
- COC(C1(C=CC=CC=1O))=O
- inchi key:
- InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
- common name:
- methylsalicylate
- molecular weight:
- 152.149
- 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
- PUBCHEM:
- HMDB : HMDB34172
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC31832
