Difference between revisions of "CPD-12218"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12218 CPD-12218] == * smiles: ** C(CC(O)C1(=CC=CC=C1))([O-])=O * common name: ** 3-hydroxy-...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(CC(O)C1(=CC=CC=C1))([O-])=O | ** C(CC(O)C1(=CC=CC=C1))([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 165.168 | ** 165.168 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 3-hydroxy-3-phenylpropanoate | ||
* Synonym(s): | * Synonym(s): | ||
** 3-hydroxy-3-phenyl propionic acid | ** 3-hydroxy-3-phenyl propionic acid | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63469 63469] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22328018 22328018] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22328018 22328018] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.11347248.html 11347248] | ** [http://www.chemspider.com/Chemical-Structure.11347248.html 11347248] | ||
| − | |||
| − | |||
{{#set: smiles=C(CC(O)C1(=CC=CC=C1))([O-])=O}} | {{#set: smiles=C(CC(O)C1(=CC=CC=C1))([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=165.168 }} | {{#set: molecular weight=165.168 }} | ||
| + | {{#set: inchi key=InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=3-hydroxy-3-phenylpropanoate}} | ||
{{#set: common name=3-hydroxy-3-phenyl propionic acid|3-hydroxy-3-phenylpropionate|beta-hydroxyphenylpropionic acid|3-hydroxy-3-phenylpropanoic acid}} | {{#set: common name=3-hydroxy-3-phenyl propionic acid|3-hydroxy-3-phenylpropionate|beta-hydroxyphenylpropionic acid|3-hydroxy-3-phenylpropanoic acid}} | ||
{{#set: consumed by=RXN-11270}} | {{#set: consumed by=RXN-11270}} | ||
{{#set: produced by=RXN-11269}} | {{#set: produced by=RXN-11269}} | ||
Latest revision as of 17:41, 9 January 2019
Contents
Metabolite CPD-12218
- smiles:
- C(CC(O)C1(=CC=CC=C1))([O-])=O
- molecular weight:
- 165.168
- inchi key:
- InChIKey=AYOLELPCNDVZKZ-UHFFFAOYSA-M
- common name:
- 3-hydroxy-3-phenylpropanoate
- Synonym(s):
- 3-hydroxy-3-phenyl propionic acid
- 3-hydroxy-3-phenylpropionate
- beta-hydroxyphenylpropionic acid
- 3-hydroxy-3-phenylpropanoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(CC(O)C1(=CC=CC=C1))([O-])=O" cannot be used as a page name in this wiki.
