Difference between revisions of "CPD-7035"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7035 CPD-7035] == * smiles: ** C1(C=CC(CCO)=CC=1) * common name: ** 2-phenylethanol * inchi...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=CC(CCO)=CC=1) | ** C1(C=CC(CCO)=CC=1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 122.166 | ** 122.166 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 2-phenylethanol | ||
* Synonym(s): | * Synonym(s): | ||
** benzeneethanol | ** benzeneethanol | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.5830.html 5830] | ||
| + | * METABOLIGHTS : MTBLC49000 | ||
* DRUGBANK : DB02192 | * DRUGBANK : DB02192 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6054 6054] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6054 6054] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49000 49000] | ||
* HMDB : HMDB33944 | * HMDB : HMDB33944 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05853 C05853] | ** [http://www.genome.jp/dbget-bin/www_bget?C05853 C05853] | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
{{#set: smiles=C1(C=CC(CCO)=CC=1)}} | {{#set: smiles=C1(C=CC(CCO)=CC=1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=122.166 }} | {{#set: molecular weight=122.166 }} | ||
| + | {{#set: inchi key=InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=2-phenylethanol}} | ||
{{#set: common name=benzeneethanol|phenethanol}} | {{#set: common name=benzeneethanol|phenethanol}} | ||
{{#set: produced by=RXN-7700}} | {{#set: produced by=RXN-7700}} | ||
Latest revision as of 12:44, 10 January 2019
Contents
Metabolite CPD-7035
- smiles:
- C1(C=CC(CCO)=CC=1)
- molecular weight:
- 122.166
- inchi key:
- InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N
- common name:
- 2-phenylethanol
- Synonym(s):
- benzeneethanol
- phenethanol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC49000
- DRUGBANK : DB02192
- PUBCHEM:
- CHEBI:
- HMDB : HMDB33944
- LIGAND-CPD:
