Difference between revisions of "Ec-24 001390"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HCN HCN] == * smiles: ** C#N * inchi key: ** InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N * common name...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] == * smiles: ** COC1(=CC(C=CC([O-])=O)=CC=C(O)1) * inchi key: ** InC...") |
||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] == |
* smiles: | * smiles: | ||
| − | ** C | + | ** COC1(=CC(C=CC([O-])=O)=CC=C(O)1) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M |
* common name: | * common name: | ||
| − | ** | + | ** ferulate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 193.179 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** ferulic acid |
| − | ** | + | ** 3-methoxy-4-hydroxycinnamic acid |
| + | ** caffeic acid 3-methyl ether | ||
| + | ** 4-hydroxy-3-methoxycinnamic acid | ||
| + | ** 3-methoxy-4-hydroxy-trans-cinnamate | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[ | + | * [[6.2.1.34-RXN]] |
| − | * [[ | + | * [[RXN-1121]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[RXN- | + | * [[RXN-1104]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * CAS : | + | * CAS : 1135-24-6 |
| − | + | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691413 54691413] |
| − | * HMDB : | + | * HMDB : HMDB00954 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01494 C01494] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4573888.html 4573888] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29749 29749] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC29749 |
| − | {{#set: smiles=C | + | {{#set: smiles=COC1(=CC(C=CC([O-])=O)=CC=C(O)1)}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=ferulate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=193.179 }} |
| − | {{#set: common name= | + | {{#set: common name=ferulic acid|3-methoxy-4-hydroxycinnamic acid|caffeic acid 3-methyl ether|4-hydroxy-3-methoxycinnamic acid|3-methoxy-4-hydroxy-trans-cinnamate}} |
| − | {{#set: consumed by= | + | {{#set: consumed by=6.2.1.34-RXN|RXN-1121}} |
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-1104}} |
Revision as of 14:24, 21 March 2018
Contents
Metabolite FERULIC-ACID
- smiles:
- COC1(=CC(C=CC([O-])=O)=CC=C(O)1)
- inchi key:
- InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M
- common name:
- ferulate
- molecular weight:
- 193.179
- Synonym(s):
- ferulic acid
- 3-methoxy-4-hydroxycinnamic acid
- caffeic acid 3-methyl ether
- 4-hydroxy-3-methoxycinnamic acid
- 3-methoxy-4-hydroxy-trans-cinnamate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 1135-24-6
- PUBCHEM:
- HMDB : HMDB00954
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC29749
"COC1(=CC(C=CC([O-])=O)=CC=C(O)1)" cannot be used as a page name in this wiki.
