Difference between revisions of "PHENYL-PYRUVATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10586 CPD-10586] == * smiles: ** CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL-PYRUVATE PHENYL-PYRUVATE] == * smiles: ** C([O-])(=O)C(=O)CC1(=CC=CC=C1) * common name:...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL-PYRUVATE PHENYL-PYRUVATE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C([O-])(=O)C(=O)CC1(=CC=CC=C1) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** 2-oxo-3-phenylpropanoate |
| + | * inchi key: | ||
| + | ** InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 163.152 |
* Synonym(s): | * Synonym(s): | ||
| + | ** α-ketohydrocinnamic acid | ||
| + | ** 3-phenyl-2-oxopropanoate | ||
| + | ** phenylpyruvate | ||
| + | ** 3-phenylpyruvate | ||
| + | ** 3-phenylpyruvic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[PHENYLPYRUVATE-TAUTOMERASE-RXN]] |
| + | * [[RXN-10815]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[RXN-10814]] | ||
| + | * [[PREPHENATEDEHYDRAT-RXN]] | ||
| + | * [[PHEAMINOTRANS-RXN]] | ||
== External links == | == External links == | ||
| − | * | + | * CAS : 156-06-9 |
| + | * BIGG : phpyr | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4592697 4592697] |
| − | * HMDB : | + | * HMDB : HMDB00205 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00166 C00166] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.3784710.html 3784710] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18005 18005] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC18005 |
| − | {{#set: smiles= | + | {{#set: smiles=C([O-])(=O)C(=O)CC1(=CC=CC=C1)}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: common name=2-oxo-3-phenylpropanoate}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M}} |
| − | {{#set: | + | {{#set: molecular weight=163.152 }} |
| − | {{#set: | + | {{#set: common name=α-ketohydrocinnamic acid|3-phenyl-2-oxopropanoate|phenylpyruvate|3-phenylpyruvate|3-phenylpyruvic acid}} |
| + | {{#set: consumed by=PHENYLPYRUVATE-TAUTOMERASE-RXN|RXN-10815}} | ||
| + | {{#set: reversible reaction associated=RXN-10814|PREPHENATEDEHYDRAT-RXN|PHEAMINOTRANS-RXN}} | ||
Latest revision as of 20:53, 21 March 2018
Contents
Metabolite PHENYL-PYRUVATE
- smiles:
- C([O-])(=O)C(=O)CC1(=CC=CC=C1)
- common name:
- 2-oxo-3-phenylpropanoate
- inchi key:
- InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M
- molecular weight:
- 163.152
- Synonym(s):
- α-ketohydrocinnamic acid
- 3-phenyl-2-oxopropanoate
- phenylpyruvate
- 3-phenylpyruvate
- 3-phenylpyruvic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 156-06-9
- BIGG : phpyr
- PUBCHEM:
- HMDB : HMDB00205
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC18005
"C([O-])(=O)C(=O)CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.
