Difference between revisions of "PHENYLACETALDEHYDE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYLACETALDEHYDE PHENYLACETALDEHYDE] == * smiles: ** [CH](=O)CC1(=CC=CC=C1) * inchi key: ** I...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** [CH](=O)CC1(=CC=CC=C1) | ** [CH](=O)CC1(=CC=CC=C1) | ||
| + | * molecular weight: | ||
| + | ** 120.151 | ||
* inchi key: | * inchi key: | ||
** InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N | ** InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** phenylacetaldehyde | ** phenylacetaldehyde | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 2-phenylacetaldehyde | ** 2-phenylacetaldehyde | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* METABOLIGHTS : MTBLC16424 | * METABOLIGHTS : MTBLC16424 | ||
| − | * | + | * CAS : 122-78-1 |
| − | + | ||
| − | + | ||
| − | + | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C00601 C00601] | ** [http://www.genome.jp/dbget-bin/www_bget?C00601 C00601] | ||
| + | * HMDB : HMDB06236 | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.13876539.html 13876539] | ** [http://www.chemspider.com/Chemical-Structure.13876539.html 13876539] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16424 16424] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16424 16424] | ||
| + | * DRUGBANK : DB02178 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=998 998] | ||
* BIGG : pacald | * BIGG : pacald | ||
{{#set: smiles=[CH](=O)CC1(=CC=CC=C1)}} | {{#set: smiles=[CH](=O)CC1(=CC=CC=C1)}} | ||
| + | {{#set: molecular weight=120.151 }} | ||
{{#set: inchi key=InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N}} | ||
{{#set: common name=phenylacetaldehyde}} | {{#set: common name=phenylacetaldehyde}} | ||
| − | |||
{{#set: common name=2-phenylacetaldehyde|PAA|α-tolualdehyde|hyacinthin|phenylethanal}} | {{#set: common name=2-phenylacetaldehyde|PAA|α-tolualdehyde|hyacinthin|phenylethanal}} | ||
{{#set: consumed by=RXN-7700}} | {{#set: consumed by=RXN-7700}} | ||
Latest revision as of 16:34, 9 January 2019
Contents
Metabolite PHENYLACETALDEHYDE
- smiles:
- [CH](=O)CC1(=CC=CC=C1)
- molecular weight:
- 120.151
- inchi key:
- InChIKey=DTUQWGWMVIHBKE-UHFFFAOYSA-N
- common name:
- phenylacetaldehyde
- Synonym(s):
- 2-phenylacetaldehyde
- PAA
- α-tolualdehyde
- hyacinthin
- phenylethanal
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC16424
- CAS : 122-78-1
- LIGAND-CPD:
- HMDB : HMDB06236
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB02178
- PUBCHEM:
- BIGG : pacald
"CH](=O)CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.
