Difference between revisions of "PRENAL"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == * smiles: ** CC(=CC=O)C * common name: ** 3-methyl-2-butenal * inchi key: **...") |
|||
| Line 2: | Line 2: | ||
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == | ||
* smiles: | * smiles: | ||
| − | ** CC(= | + | ** CC(=C[CH]=O)C |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* molecular weight: | * molecular weight: | ||
** 84.118 | ** 84.118 | ||
| + | * inchi key: | ||
| + | ** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 3-methyl-2-butenal | ||
* Synonym(s): | * Synonym(s): | ||
** 3-methylbut-2-enal | ** 3-methylbut-2-enal | ||
| Line 17: | Line 17: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-11989]] | * [[RXN-11989]] | ||
| + | * [[1.8.3.5-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[1.5.99.12-RXN]] | * [[1.5.99.12-RXN]] | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046] | ||
| + | * METABOLIGHTS : MTBLC15825 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825] | ||
* HMDB : HMDB12157 | * HMDB : HMDB12157 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330] | ** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330] | ||
| − | + | {{#set: smiles=CC(=C[CH]=O)C}} | |
| − | + | {{#set: molecular weight=84.118 }} | |
| − | + | {{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}} | |
| − | + | ||
| − | + | ||
| − | {{#set: | + | |
{{#set: common name=3-methyl-2-butenal}} | {{#set: common name=3-methyl-2-butenal}} | ||
| − | |||
| − | |||
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}} | {{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}} | ||
| − | {{#set: produced by=1.8.3.5-RXN | + | {{#set: produced by=RXN-11989|1.8.3.5-RXN}} |
{{#set: reversible reaction associated=1.5.99.12-RXN}} | {{#set: reversible reaction associated=1.5.99.12-RXN}} | ||
Latest revision as of 14:55, 10 January 2019
Contents
Metabolite PRENAL
- smiles:
- CC(=C[CH]=O)C
- molecular weight:
- 84.118
- inchi key:
- InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
- common name:
- 3-methyl-2-butenal
- Synonym(s):
- 3-methylbut-2-enal
- 3,3-dimethyl-acrylaldehyde
- prenal
- 3-methylcrotonaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC15825
- PUBCHEM:
- CHEBI:
- HMDB : HMDB12157
- LIGAND-CPD:
"CC(=C[CH]=O)C" cannot be used as a page name in this wiki.
