Difference between revisions of "3-PHENYLPROPIONATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-PHENYLPROPIONATE 3-PHENYLPROPIONATE] == * smiles: ** C(CCC1(=CC=CC=C1))([O-])=O * inchi key:...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(CCC1(=CC=CC=C1))([O-])=O | ** C(CCC1(=CC=CC=C1))([O-])=O | ||
| + | * molecular weight: | ||
| + | ** 149.169 | ||
* inchi key: | * inchi key: | ||
** InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M | ** InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** 3-phenylpropanoate | ** 3-phenylpropanoate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** hydrocinnamate | ** hydrocinnamate | ||
| Line 22: | Line 22: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * BIGG : pppn |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05629 C05629] | ** [http://www.genome.jp/dbget-bin/www_bget?C05629 C05629] | ||
| + | * HMDB : HMDB00764 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.3927902.html 3927902] | ** [http://www.chemspider.com/Chemical-Structure.3927902.html 3927902] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51057 51057] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51057 51057] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4740700 4740700] | ||
{{#set: smiles=C(CCC1(=CC=CC=C1))([O-])=O}} | {{#set: smiles=C(CCC1(=CC=CC=C1))([O-])=O}} | ||
| + | {{#set: molecular weight=149.169 }} | ||
{{#set: inchi key=InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M}} | ||
{{#set: common name=3-phenylpropanoate}} | {{#set: common name=3-phenylpropanoate}} | ||
| − | |||
{{#set: common name=hydrocinnamate|3-phenylpropionic acid|hydrocinnamic acid|HCA|phenylpropanoate|3-phenylpropionate}} | {{#set: common name=hydrocinnamate|3-phenylpropionic acid|hydrocinnamic acid|HCA|phenylpropanoate|3-phenylpropionate}} | ||
{{#set: produced by=RXN-18229}} | {{#set: produced by=RXN-18229}} | ||
Latest revision as of 17:30, 9 January 2019
Contents
Metabolite 3-PHENYLPROPIONATE
- smiles:
- C(CCC1(=CC=CC=C1))([O-])=O
- molecular weight:
- 149.169
- inchi key:
- InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M
- common name:
- 3-phenylpropanoate
- Synonym(s):
- hydrocinnamate
- 3-phenylpropionic acid
- hydrocinnamic acid
- HCA
- phenylpropanoate
- 3-phenylpropionate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(CCC1(=CC=CC=C1))([O-])=O" cannot be used as a page name in this wiki.
