Difference between revisions of "CPD-12327"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1130 CPD-1130] == * smiles: ** CCC(C([O-])=O)C(C(=O)[O-])O * inchi key: ** InChIKey=JUCRENB...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] == * smiles: ** CCCC#N * common name: ** n-butyronitrile * inchi key: ** I...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12327 CPD-12327] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CCCC#N |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** n-butyronitrile |
| + | * inchi key: | ||
| + | ** InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 69.106 |
* Synonym(s): | * Synonym(s): | ||
| + | ** 1-cyanopropane | ||
| + | ** n-propyl cyanide | ||
| + | ** propyl cyanide | ||
| + | ** butyronitrile | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-14726]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== 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=8008 8008] |
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.7717.html 7717] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51937 51937] |
| − | + | {{#set: smiles=CCCC#N}} | |
| − | + | {{#set: common name=n-butyronitrile}} | |
| − | {{#set: smiles= | + | {{#set: inchi key=InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N}} |
| − | {{#set: | + | {{#set: molecular weight=69.106 }} |
| − | {{#set: | + | {{#set: common name=1-cyanopropane|n-propyl cyanide|propyl cyanide|butyronitrile}} |
| − | {{#set: molecular weight= | + | {{#set: consumed by=RXN-14726}} |
| − | {{#set: | + | |
| − | {{#set: consumed | + | |
Latest revision as of 20:05, 21 March 2018
Contents
Metabolite CPD-12327
- smiles:
- CCCC#N
- common name:
- n-butyronitrile
- inchi key:
- InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N
- molecular weight:
- 69.106
- Synonym(s):
- 1-cyanopropane
- n-propyl cyanide
- propyl cyanide
- butyronitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
