Difference between revisions of "CPD-676"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SELENOMETHIONINE SELENOMETHIONINE] == * smiles: ** C[Se]CCC(C([O-])=O)[N+] * inchi key: ** InCh...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * inchi key: ** InChIKey=QAI...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M |
* common name: | * common name: | ||
| − | ** | + | ** trans-caffeate |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 179.152 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** trans-caffeic acid |
| + | ** 3,4-dihydroxy-trans-cinnamate | ||
| + | ** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-1126]] | ||
| + | * [[RXN-1104]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412] |
| − | * HMDB : | + | * HMDB : HMDB03501 |
* LIGAND-CPD: | * LIGAND-CPD: | ||
| − | ** [http://www.genome.jp/dbget-bin/www_bget? | + | ** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197] |
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770] |
| − | * METABOLIGHTS : | + | * METABOLIGHTS : MTBLC57770 |
| − | {{#set: smiles= | + | {{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=trans-caffeate}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=179.152 }} |
| − | {{#set: common name= | + | {{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}} |
| − | {{#set: | + | {{#set: consumed by=RXN-1126|RXN-1104}} |
Latest revision as of 19:57, 21 March 2018
Contents
Metabolite CPD-676
- smiles:
- C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
- inchi key:
- InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
- common name:
- trans-caffeate
- molecular weight:
- 179.152
- Synonym(s):
- trans-caffeic acid
- 3,4-dihydroxy-trans-cinnamate
- (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- HMDB : HMDB03501
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC57770
"C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)" cannot be used as a page name in this wiki.
