Difference between revisions of "CPD-676"
From metabolic_network
(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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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) | ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) | ||
| + | * molecular weight: | ||
| + | ** 179.152 | ||
* inchi key: | * inchi key: | ||
** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M | ** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M | ||
* common name: | * common name: | ||
** trans-caffeate | ** trans-caffeate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** trans-caffeic acid | ** trans-caffeic acid | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC57770 |
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197] | ** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197] | ||
| + | * HMDB : HMDB03501 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294] | ** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770] | ||
| − | * | + | * PUBCHEM: |
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412] | ||
{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}} | {{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}} | ||
| + | {{#set: molecular weight=179.152 }} | ||
{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}} | {{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}} | ||
{{#set: common name=trans-caffeate}} | {{#set: common name=trans-caffeate}} | ||
| − | |||
{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}} | {{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}} | ||
{{#set: consumed by=RXN-1126}} | {{#set: consumed by=RXN-1126}} | ||
Latest revision as of 18:13, 9 January 2019
Contents
Metabolite CPD-676
- smiles:
- C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
- molecular weight:
- 179.152
- inchi key:
- InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
- common name:
- trans-caffeate
- 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
- METABOLIGHTS : MTBLC57770
- LIGAND-CPD:
- HMDB : HMDB03501
- CHEMSPIDER:
- CHEBI:
- PUBCHEM:
"C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)" cannot be used as a page name in this wiki.
