Difference between revisions of "CPD-7000"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7000 CPD-7000] == * smiles: ** CC(C)[CH]=O * common name: ** isobutanal * inchi key: ** InC...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)[CH]=O | ** CC(C)[CH]=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 72.107 | ** 72.107 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** isobutanal | ||
* Synonym(s): | * Synonym(s): | ||
** isobutyraldehyde | ** isobutyraldehyde | ||
| Line 18: | Line 18: | ||
* [[RXN-7657]] | * [[RXN-7657]] | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48943 48943] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6561 6561] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6561 6561] | ||
| + | * HMDB : HMDB31243 | ||
| + | * REFMET : 2-Methylpropanal | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.6313.html 6313] | ** [http://www.chemspider.com/Chemical-Structure.6313.html 6313] | ||
| − | |||
| − | |||
| − | |||
{{#set: smiles=CC(C)[CH]=O}} | {{#set: smiles=CC(C)[CH]=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=72.107 }} | {{#set: molecular weight=72.107 }} | ||
| + | {{#set: inchi key=InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=isobutanal}} | ||
{{#set: common name=isobutyraldehyde|isobutylaldehyde}} | {{#set: common name=isobutyraldehyde|isobutylaldehyde}} | ||
{{#set: reversible reaction associated=RXN-7657}} | {{#set: reversible reaction associated=RXN-7657}} | ||
Latest revision as of 13:19, 10 January 2019
Contents
Metabolite CPD-7000
- smiles:
- CC(C)[CH]=O
- molecular weight:
- 72.107
- inchi key:
- InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N
- common name:
- isobutanal
- Synonym(s):
- isobutyraldehyde
- isobutylaldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)[CH]=O" cannot be used as a page name in this wiki.
