Difference between revisions of "CPD-8773"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8773 CPD-8773] == * smiles: ** CC1(C=CC(C=O)=CC=1) * common name: ** 4-methylbenzaldehyde *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(C=CC(C=O)=CC=1) | ** CC1(C=CC(C=O)=CC=1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 120.151 | ** 120.151 | ||
| + | * inchi key: | ||
| + | ** InChIKey=FXLOVSHXALFLKQ-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 4-methylbenzaldehyde | ||
* Synonym(s): | * Synonym(s): | ||
** p-tolualdehyde | ** p-tolualdehyde | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.14014013.html 14014013] | ||
| + | * METABOLIGHTS : MTBLC28617 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7725 7725] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7725 7725] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28617 28617] | ||
* HMDB : HMDB29638 | * HMDB : HMDB29638 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C06758 C06758] | ** [http://www.genome.jp/dbget-bin/www_bget?C06758 C06758] | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
{{#set: smiles=CC1(C=CC(C=O)=CC=1)}} | {{#set: smiles=CC1(C=CC(C=O)=CC=1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=120.151 }} | {{#set: molecular weight=120.151 }} | ||
| + | {{#set: inchi key=InChIKey=FXLOVSHXALFLKQ-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=4-methylbenzaldehyde}} | ||
{{#set: common name=p-tolualdehyde|p-toluylaldehyde|para-tolualdehyde|4-tolualdehyde|p-4-methylbenzaldehyde}} | {{#set: common name=p-tolualdehyde|p-toluylaldehyde|para-tolualdehyde|4-tolualdehyde|p-4-methylbenzaldehyde}} | ||
{{#set: consumed by=RXN-8582}} | {{#set: consumed by=RXN-8582}} | ||
Latest revision as of 15:05, 10 January 2019
Contents
Metabolite CPD-8773
- smiles:
- CC1(C=CC(C=O)=CC=1)
- molecular weight:
- 120.151
- inchi key:
- InChIKey=FXLOVSHXALFLKQ-UHFFFAOYSA-N
- common name:
- 4-methylbenzaldehyde
- Synonym(s):
- p-tolualdehyde
- p-toluylaldehyde
- para-tolualdehyde
- 4-tolualdehyde
- p-4-methylbenzaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC28617
- PUBCHEM:
- CHEBI:
- HMDB : HMDB29638
- LIGAND-CPD:
