Difference between revisions of "PHENYL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL PHENYL] == * smiles: ** CC(=O)C1(C=CC=CC=1) * inchi key: ** InChIKey=KWOLFJPFCHCOCG-UHFF...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(=O)C1(C=CC=CC=1) | ** CC(=O)C1(C=CC=CC=1) | ||
| + | * molecular weight: | ||
| + | ** 120.151 | ||
* inchi key: | * inchi key: | ||
** InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N | ** InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** acetophenone | ** acetophenone | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** phenylmethylketone | ** phenylmethylketone | ||
| Line 18: | Line 18: | ||
* [[RXN-1302]] | * [[RXN-1302]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07113 C07113] | ** [http://www.genome.jp/dbget-bin/www_bget?C07113 C07113] | ||
| + | * HMDB : HMDB33910 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7132.html 7132] | ** [http://www.chemspider.com/Chemical-Structure.7132.html 7132] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27632 27632] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27632 27632] | ||
| + | * CAS : 98-86-2 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7410 7410] | ||
| + | * DRUGBANK : DB04619 | ||
{{#set: smiles=CC(=O)C1(C=CC=CC=1)}} | {{#set: smiles=CC(=O)C1(C=CC=CC=1)}} | ||
| + | {{#set: molecular weight=120.151 }} | ||
{{#set: inchi key=InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N}} | ||
{{#set: common name=acetophenone}} | {{#set: common name=acetophenone}} | ||
| − | |||
{{#set: common name=phenylmethylketone|methylphenylketone}} | {{#set: common name=phenylmethylketone|methylphenylketone}} | ||
{{#set: reversible reaction associated=RXN-1302}} | {{#set: reversible reaction associated=RXN-1302}} | ||
Latest revision as of 18:24, 9 January 2019
Contents
Metabolite PHENYL
- smiles:
- CC(=O)C1(C=CC=CC=1)
- molecular weight:
- 120.151
- inchi key:
- InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
- common name:
- acetophenone
- Synonym(s):
- phenylmethylketone
- methylphenylketone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- LIGAND-CPD:
- HMDB : HMDB33910
- CHEMSPIDER:
- CHEBI:
- CAS : 98-86-2
- PUBCHEM:
- DRUGBANK : DB04619
