Difference between revisions of "COUMARALDEHYDE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARALDEHYDE COUMARALDEHYDE] == * smiles: ** C(=O)C=CC1(C=CC(O)=CC=1) * common name: ** 4-cou...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)C=CC1(C=CC(O)=CC=1) | ** C(=O)C=CC1(C=CC(O)=CC=1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 148.161 | ** 148.161 | ||
| + | * inchi key: | ||
| + | ** InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N | ||
| + | * common name: | ||
| + | ** 4-coumaraldehyde | ||
* Synonym(s): | * Synonym(s): | ||
** coumaraldehyde | ** coumaraldehyde | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.556592.html 556592] | ||
| + | * REFMET : (E)-3-(4-Hydroxyphenyl)-2-propenal | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=641301 641301] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=641301 641301] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28353 28353] | ||
* HMDB : HMDB40986 | * HMDB : HMDB40986 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05608 C05608] | ** [http://www.genome.jp/dbget-bin/www_bget?C05608 C05608] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC28353 | * METABOLIGHTS : MTBLC28353 | ||
{{#set: smiles=C(=O)C=CC1(C=CC(O)=CC=1)}} | {{#set: smiles=C(=O)C=CC1(C=CC(O)=CC=1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=148.161 }} | {{#set: molecular weight=148.161 }} | ||
| + | {{#set: inchi key=InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N}} | ||
| + | {{#set: common name=4-coumaraldehyde}} | ||
{{#set: common name=coumaraldehyde|p-coumaraldehyde}} | {{#set: common name=coumaraldehyde|p-coumaraldehyde}} | ||
{{#set: consumed by=RXN-1102}} | {{#set: consumed by=RXN-1102}} | ||
{{#set: produced by=RXN-1101}} | {{#set: produced by=RXN-1101}} | ||
Latest revision as of 14:57, 10 January 2019
Contents
Metabolite COUMARALDEHYDE
- smiles:
- C(=O)C=CC1(C=CC(O)=CC=1)
- molecular weight:
- 148.161
- inchi key:
- InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N
- common name:
- 4-coumaraldehyde
- Synonym(s):
- coumaraldehyde
- p-coumaraldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- REFMET : (E)-3-(4-Hydroxyphenyl)-2-propenal
- PUBCHEM:
- CHEBI:
- HMDB : HMDB40986
- LIGAND-CPD:
- METABOLIGHTS : MTBLC28353
