Difference between revisions of "CPD-7031"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7031 CPD-7031] == * smiles: ** CC(C)C[CH]=O * common name: ** 3-methylbutanal * inchi key:...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)C[CH]=O | ** CC(C)C[CH]=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 86.133 | ** 86.133 | ||
| + | * inchi key: | ||
| + | ** InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 3-methylbutanal | ||
* Synonym(s): | * Synonym(s): | ||
** isovaleraldehyde | ** isovaleraldehyde | ||
| Line 19: | Line 19: | ||
* [[RXN-7693]] | * [[RXN-7693]] | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16638 16638] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11552 11552] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11552 11552] | ||
| − | |||
| − | |||
* HMDB : HMDB06478 | * HMDB : HMDB06478 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C07329 C07329] | ** [http://www.genome.jp/dbget-bin/www_bget?C07329 C07329] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.11065.html 11065] | ||
{{#set: smiles=CC(C)C[CH]=O}} | {{#set: smiles=CC(C)C[CH]=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=86.133 }} | {{#set: molecular weight=86.133 }} | ||
| + | {{#set: inchi key=InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=3-methylbutanal}} | ||
{{#set: common name=isovaleraldehyde|isoamylaldehyde|isopentaldehyde}} | {{#set: common name=isovaleraldehyde|isoamylaldehyde|isopentaldehyde}} | ||
{{#set: reversible reaction associated=RXN-7693}} | {{#set: reversible reaction associated=RXN-7693}} | ||
Latest revision as of 11:39, 10 January 2019
Contents
Metabolite CPD-7031
- smiles:
- CC(C)C[CH]=O
- molecular weight:
- 86.133
- inchi key:
- InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N
- common name:
- 3-methylbutanal
- Synonym(s):
- isovaleraldehyde
- isoamylaldehyde
- isopentaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)C[CH]=O" cannot be used as a page name in this wiki.
