Difference between revisions of "CPD-15654"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOENE PHYTOENE] == * smiles: ** CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] == * smiles: ** C(=O)([O-])C=CC1(=CC=C(O)C=C1) * common name: ** 4-coumara...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C(=O)([O-])C=CC1(=CC=C(O)C=C1) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** 4-coumarate |
| + | * inchi key: | ||
| + | ** InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 163.152 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 4-hydroxycinnamate |
| + | ** 4-hydroxycinnamic acid | ||
| + | ** p-coumarate | ||
| + | ** trans-4-hydroxycinnamate | ||
| + | ** p-coumaric acid | ||
| + | ** trans-p-hydroxycinnamate | ||
| + | ** trans-4-coumarate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[4-COUMARATE--COA-LIGASE-RXN]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 7400-08-0 |
| − | + | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54708745 54708745] |
| − | * HMDB : | + | * HMDB : HMDB02035 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00811 C00811] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4450678.html 4450678] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=12876 12876] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC12876 |
| − | {{#set: smiles= | + | {{#set: smiles=C(=O)([O-])C=CC1(=CC=C(O)C=C1)}} |
| − | {{#set: | + | {{#set: common name=4-coumarate}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=163.152 }} |
| − | {{#set: common name= | + | {{#set: common name=4-hydroxycinnamate|4-hydroxycinnamic acid|p-coumarate|trans-4-hydroxycinnamate|p-coumaric acid|trans-p-hydroxycinnamate|trans-4-coumarate}} |
| − | {{#set: consumed by= | + | {{#set: consumed by=4-COUMARATE--COA-LIGASE-RXN}} |
| − | {{#set: produced by= | + | {{#set: produced by=TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}} |
| − | + | ||
Revision as of 16:48, 21 March 2018
Contents
Metabolite COUMARATE
- smiles:
- C(=O)([O-])C=CC1(=CC=C(O)C=C1)
- common name:
- 4-coumarate
- inchi key:
- InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M
- molecular weight:
- 163.152
- Synonym(s):
- 4-hydroxycinnamate
- 4-hydroxycinnamic acid
- p-coumarate
- trans-4-hydroxycinnamate
- p-coumaric acid
- trans-p-hydroxycinnamate
- trans-4-coumarate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 7400-08-0
- PUBCHEM:
- HMDB : HMDB02035
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC12876
"C(=O)([O-])C=CC1(=CC=C(O)C=C1)" cannot be used as a page name in this wiki.
