Difference between revisions of "RXN-7682"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] == * smiles: ** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == * smiles: ** CC(=CC=O)C * inchi key: ** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == |
* smiles: | * smiles: | ||
| − | ** CC(= | + | ** CC(=CC=O)C |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N |
* common name: | * common name: | ||
| − | ** | + | ** 3-methyl-2-butenal |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 84.118 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** 3-methylbut-2-enal |
| + | ** 3,3-dimethyl-acrylaldehyde | ||
| + | ** prenal | ||
| + | ** 3-methylcrotonaldehyde | ||
== 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- | + | * [[1.8.3.5-RXN]] |
| + | * [[RXN-11989]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020] |
| + | * HMDB : HMDB12157 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825] |
| − | {{#set: smiles=CC(= | + | * METABOLIGHTS : MTBLC15825 |
| − | {{#set: inchi key=InChIKey= | + | {{#set: smiles=CC(=CC=O)C}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}} |
| − | {{#set: molecular weight= | + | {{#set: common name=3-methyl-2-butenal}} |
| − | {{#set: common name= | + | {{#set: molecular weight=84.118 }} |
| − | {{#set: produced by=RXN- | + | {{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}} |
| + | {{#set: produced by=1.8.3.5-RXN|RXN-11989}} | ||
Revision as of 14:54, 21 March 2018
Contents
Metabolite PRENAL
- smiles:
- CC(=CC=O)C
- inchi key:
- InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
- common name:
- 3-methyl-2-butenal
- molecular weight:
- 84.118
- 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
- PUBCHEM:
- HMDB : HMDB12157
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC15825
