Difference between revisions of "COUMARATE"
From metabolic_network
(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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* smiles: | * smiles: | ||
** C(=O)([O-])C=CC1(=CC=C(O)C=C1) | ** C(=O)([O-])C=CC1(=CC=C(O)C=C1) | ||
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| − | |||
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* molecular weight: | * molecular weight: | ||
** 163.152 | ** 163.152 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M | ||
| + | * common name: | ||
| + | ** 4-coumarate | ||
* Synonym(s): | * Synonym(s): | ||
** 4-hydroxycinnamate | ** 4-hydroxycinnamate | ||
| Line 24: | Line 24: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4450678.html 4450678] | ** [http://www.chemspider.com/Chemical-Structure.4450678.html 4450678] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54708745 54708745] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=12876 12876] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=12876 12876] | ||
| + | * GO-TERMS : (REFMET "4-Hydroxycinnamic acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 7400-08-0 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00811 C00811] | ||
| + | * HMDB : HMDB02035 | ||
* METABOLIGHTS : MTBLC12876 | * METABOLIGHTS : MTBLC12876 | ||
{{#set: smiles=C(=O)([O-])C=CC1(=CC=C(O)C=C1)}} | {{#set: smiles=C(=O)([O-])C=CC1(=CC=C(O)C=C1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=163.152 }} | {{#set: molecular weight=163.152 }} | ||
| + | {{#set: inchi key=InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M}} | ||
| + | {{#set: common name=4-coumarate}} | ||
{{#set: common name=4-hydroxycinnamate|4-hydroxycinnamic acid|p-coumarate|trans-4-hydroxycinnamate|p-coumaric acid|trans-p-hydroxycinnamate|trans-4-coumarate}} | {{#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=4-COUMARATE--COA-LIGASE-RXN}} | {{#set: consumed by=4-COUMARATE--COA-LIGASE-RXN}} | ||
{{#set: produced by=TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}} | {{#set: produced by=TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}} | ||
Latest revision as of 14:01, 10 January 2019
Contents
Metabolite COUMARATE
- smiles:
- C(=O)([O-])C=CC1(=CC=C(O)C=C1)
- molecular weight:
- 163.152
- inchi key:
- InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M
- common name:
- 4-coumarate
- 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
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- GO-TERMS : (REFMET "4-Hydroxycinnamic acid" NIL midford 3701443689 NIL NIL)
- CAS : 7400-08-0
- LIGAND-CPD:
- HMDB : HMDB02035
- METABOLIGHTS : MTBLC12876
"C(=O)([O-])C=CC1(=CC=C(O)C=C1)" cannot be used as a page name in this wiki.
