Difference between revisions of "METHYLBUT-CPD"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYLBUT-CPD METHYLBUT-CPD] == * smiles: ** CCC(C)[CH]=O * common name: ** 2-methylbutanal * i...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(C)[CH]=O | ** CCC(C)[CH]=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 86.133 | ** 86.133 | ||
| + | * inchi key: | ||
| + | ** InChIKey=BYGQBDHUGHBGMD-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 2-methylbutanal | ||
* Synonym(s): | * Synonym(s): | ||
** 2-methylbutyraldehyde | ** 2-methylbutyraldehyde | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
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| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7012.html 7012] | ** [http://www.chemspider.com/Chemical-Structure.7012.html 7012] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7284 7284] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16182 16182] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16182 16182] | ||
| + | * CAS : 96-17-3 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C02223 C02223] | ||
| + | * HMDB : HMDB31526 | ||
{{#set: smiles=CCC(C)[CH]=O}} | {{#set: smiles=CCC(C)[CH]=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=86.133 }} | {{#set: molecular weight=86.133 }} | ||
| + | {{#set: inchi key=InChIKey=BYGQBDHUGHBGMD-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=2-methylbutanal}} | ||
{{#set: common name=2-methylbutyraldehyde}} | {{#set: common name=2-methylbutyraldehyde}} | ||
{{#set: consumed by=RXN-7694}} | {{#set: consumed by=RXN-7694}} | ||
Latest revision as of 15:24, 10 January 2019
Contents
Metabolite METHYLBUT-CPD
- smiles:
- CCC(C)[CH]=O
- molecular weight:
- 86.133
- inchi key:
- InChIKey=BYGQBDHUGHBGMD-UHFFFAOYSA-N
- common name:
- 2-methylbutanal
- Synonym(s):
- 2-methylbutyraldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCC(C)[CH]=O" cannot be used as a page name in this wiki.
