Difference between revisions of "CPD-8774"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8774 CPD-8774] == * smiles: ** CC1(C=CC=C(C=O)C=1) * common name: ** 3-methylbenzaldehyde *...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(C=CC=C(C=O)C=1) | ** CC1(C=CC=C(C=O)C=1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 120.151 | ** 120.151 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 3-methylbenzaldehyde | ||
* Synonym(s): | * Synonym(s): | ||
** 3-tolualdehyde | ** 3-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.10667802.html 10667802] | ||
| + | * METABOLIGHTS : MTBLC28476 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12105 12105] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12105 12105] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28476 28476] | ||
* HMDB : HMDB29637 | * HMDB : HMDB29637 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07209 C07209] | ** [http://www.genome.jp/dbget-bin/www_bget?C07209 C07209] | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
{{#set: smiles=CC1(C=CC=C(C=O)C=1)}} | {{#set: smiles=CC1(C=CC=C(C=O)C=1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=120.151 }} | {{#set: molecular weight=120.151 }} | ||
| + | {{#set: inchi key=InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=3-methylbenzaldehyde}} | ||
{{#set: common name=3-tolualdehyde|m-methylbenzaldehyde|3-tolylaldehyde|m-tolylaldehyde|m-tolyl aldehyde}} | {{#set: common name=3-tolualdehyde|m-methylbenzaldehyde|3-tolylaldehyde|m-tolylaldehyde|m-tolyl aldehyde}} | ||
{{#set: consumed by=RXN-8583}} | {{#set: consumed by=RXN-8583}} | ||
Latest revision as of 14:16, 10 January 2019
Contents
Metabolite CPD-8774
- smiles:
- CC1(C=CC=C(C=O)C=1)
- molecular weight:
- 120.151
- inchi key:
- InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N
- common name:
- 3-methylbenzaldehyde
- Synonym(s):
- 3-tolualdehyde
- m-methylbenzaldehyde
- 3-tolylaldehyde
- m-tolylaldehyde
- m-tolyl aldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC28476
- PUBCHEM:
- CHEBI:
- HMDB : HMDB29637
- LIGAND-CPD:
