Difference between revisions of "S-1-PHENYLETHANOL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-1-PHENYLETHANOL S-1-PHENYLETHANOL] == * smiles: ** CC(O)C1(C=CC=CC=1) * common name: ** (S)-1...") |
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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: | * molecular weight: | ||
** 122.166 | ** 122.166 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N | ||
| + | * common name: | ||
| + | ** (S)-1-phenylethanol | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
* [[RXN-1302]] | * [[RXN-1302]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.391409.html 391409] | ** [http://www.chemspider.com/Chemical-Structure.391409.html 391409] | ||
| Line 24: | Line 22: | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C11348 C11348] | ** [http://www.genome.jp/dbget-bin/www_bget?C11348 C11348] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443135 443135] | ||
{{#set: smiles=CC(O)C1(C=CC=CC=1)}} | {{#set: smiles=CC(O)C1(C=CC=CC=1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=122.166 }} | {{#set: molecular weight=122.166 }} | ||
| + | {{#set: inchi key=InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N}} | ||
| + | {{#set: common name=(S)-1-phenylethanol}} | ||
{{#set: reversible reaction associated=RXN-1302}} | {{#set: reversible reaction associated=RXN-1302}} | ||
Latest revision as of 14:46, 10 January 2019
Contents
Metabolite S-1-PHENYLETHANOL
- smiles:
- CC(O)C1(C=CC=CC=1)
- molecular weight:
- 122.166
- inchi key:
- InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N
- common name:
- (S)-1-phenylethanol
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
