Difference between revisions of "RXN-12377"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] == * smiles: ** COC1(C(=CC=C([CH]=O)C=1)O) * inchi key: ** InChIKey=MWOOGOJB...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] == * smiles: ** CC1(C=CC(=CC=1)O) * common name: ** 4-methylphenol * inchi key...") |
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| 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-108 CPD-108] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CC1(C=CC(=CC=1)O) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** 4-methylphenol |
| + | * inchi key: | ||
| + | ** InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 108.14 |
* Synonym(s): | * Synonym(s): | ||
| − | ** 4- | + | ** 4-hydroxytoluene |
| + | ** p-hydroxytoluene | ||
| + | ** 4-cresol | ||
| + | ** p-cresol | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[RXN-15588]] | ||
== External links == | == External links == | ||
| − | + | * CAS : 106-44-5 | |
| − | + | * DRUGBANK : DB01688 | |
| − | * CAS : | + | |
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2879 2879] |
| − | * HMDB : | + | * HMDB : HMDB01858 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01468 C01468] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC17847 |
| − | {{#set: smiles= | + | {{#set: smiles=CC1(C=CC(=CC=1)O)}} |
| − | {{#set: | + | {{#set: common name=4-methylphenol}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=108.14 }} |
| − | {{#set: common name=4- | + | {{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}} |
| − | {{#set: | + | {{#set: reversible reaction associated=RXN-15588}} |
Revision as of 15:55, 21 March 2018
Contents
Metabolite CPD-108
- smiles:
- CC1(C=CC(=CC=1)O)
- common name:
- 4-methylphenol
- inchi key:
- InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
- molecular weight:
- 108.14
- Synonym(s):
- 4-hydroxytoluene
- p-hydroxytoluene
- 4-cresol
- p-cresol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 106-44-5
- DRUGBANK : DB01688
- PUBCHEM:
- HMDB : HMDB01858
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC17847
