Difference between revisions of "CPD-108"
From metabolic_network
(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...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(C=CC(=CC=1)O) | ** CC1(C=CC(=CC=1)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 108.14 | ** 108.14 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 4-methylphenol | ||
* Synonym(s): | * Synonym(s): | ||
** 4-hydroxytoluene | ** 4-hydroxytoluene | ||
| Line 21: | Line 21: | ||
* [[RXN-15588]] | * [[RXN-15588]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340] | ** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847] | ||
| + | * DRUGBANK : DB01688 | ||
| + | * REFMET : P-Cresol | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2879 2879] | ||
* METABOLIGHTS : MTBLC17847 | * METABOLIGHTS : MTBLC17847 | ||
| + | * CAS : 106-44-5 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01468 C01468] | ||
| + | * HMDB : HMDB01858 | ||
{{#set: smiles=CC1(C=CC(=CC=1)O)}} | {{#set: smiles=CC1(C=CC(=CC=1)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=108.14 }} | {{#set: molecular weight=108.14 }} | ||
| + | {{#set: inchi key=InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=4-methylphenol}} | ||
{{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}} | {{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}} | ||
{{#set: produced by=RXN-11319}} | {{#set: produced by=RXN-11319}} | ||
{{#set: reversible reaction associated=RXN-15588}} | {{#set: reversible reaction associated=RXN-15588}} | ||
Latest revision as of 14:31, 10 January 2019
Contents
Metabolite CPD-108
- smiles:
- CC1(C=CC(=CC=1)O)
- molecular weight:
- 108.14
- inchi key:
- InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
- common name:
- 4-methylphenol
- 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
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB01688
- REFMET : P-Cresol
- PUBCHEM:
- METABOLIGHTS : MTBLC17847
- CAS : 106-44-5
- LIGAND-CPD:
- HMDB : HMDB01858
