Difference between revisions of "CPD-14673"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14673 CPD-14673] == * smiles: ** C(#N)CCC1(C=CC=CC=1) * inchi key: ** InChIKey=ACRWYXSKEHUQ...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(#N)CCC1(C=CC=CC=1) | ** C(#N)CCC1(C=CC=CC=1) | ||
| + | * molecular weight: | ||
| + | ** 131.177 | ||
* inchi key: | * inchi key: | ||
** InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N | ** InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N | ||
* common name: | * common name: | ||
** 3-phenylpropionitrile | ** 3-phenylpropionitrile | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** benzenepropanenitrile | ** benzenepropanenitrile | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=85426 85426] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12581 12581] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=12581 12581] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.12061.html 12061] | ** [http://www.chemspider.com/Chemical-Structure.12061.html 12061] | ||
| − | |||
| − | |||
* HMDB : HMDB34236 | * HMDB : HMDB34236 | ||
{{#set: smiles=C(#N)CCC1(C=CC=CC=1)}} | {{#set: smiles=C(#N)CCC1(C=CC=CC=1)}} | ||
| + | {{#set: molecular weight=131.177 }} | ||
{{#set: inchi key=InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N}} | {{#set: inchi key=InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N}} | ||
{{#set: common name=3-phenylpropionitrile}} | {{#set: common name=3-phenylpropionitrile}} | ||
| − | |||
{{#set: common name=benzenepropanenitrile|2-phenylethyl cyanide|3-phenylpropanonitril}} | {{#set: common name=benzenepropanenitrile|2-phenylethyl cyanide|3-phenylpropanonitril}} | ||
{{#set: consumed by=RXN-18229}} | {{#set: consumed by=RXN-18229}} | ||
Latest revision as of 17:25, 9 January 2019
Contents
Metabolite CPD-14673
- smiles:
- C(#N)CCC1(C=CC=CC=1)
- molecular weight:
- 131.177
- inchi key:
- InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N
- common name:
- 3-phenylpropionitrile
- Synonym(s):
- benzenepropanenitrile
- 2-phenylethyl cyanide
- 3-phenylpropanonitril
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
