Difference between revisions of "CPD-941"

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(Created page with "Category:metabolite == Metabolite PHENYLACETALDEHYDE == * common-name: ** phenylacetaldehyde * smiles: ** [ch](=o)cc1(=cc=cc=c1) * inchi-key: ** dtuqwgwmvihbke-uhfffaoysa-...")
(Created page with "Category:metabolite == Metabolite RS-TETRAHYDROBENZYLISOQUINOLINE == * common-name: ** (r,s)-tetrahydrobenzylisoquinoline * smiles: ** c3(c=cc(cc1(c2(c(cc[n+]1)=cc=cc=2)))...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite PHENYLACETALDEHYDE ==
+
== Metabolite RS-TETRAHYDROBENZYLISOQUINOLINE ==
 
* common-name:
 
* common-name:
** phenylacetaldehyde
+
** (r,s)-tetrahydrobenzylisoquinoline
 
* smiles:
 
* smiles:
** [ch](=o)cc1(=cc=cc=c1)
+
** c3(c=cc(cc1(c2(c(cc[n+]1)=cc=cc=2)))=cc=3)
 
* inchi-key:
 
* inchi-key:
** dtuqwgwmvihbke-uhfffaoysa-n
+
** yrycifuzsumaay-uhfffaoysa-o
 
* molecular-weight:
 
* molecular-weight:
** 120.151
+
** 224.325
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7700]]
+
* [[2.1.1.115-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10817]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=phenylacetaldehyde}}
+
{{#set: common-name=(r,s)-tetrahydrobenzylisoquinoline}}
{{#set: inchi-key=inchikey=dtuqwgwmvihbke-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=yrycifuzsumaay-uhfffaoysa-o}}
{{#set: molecular-weight=120.151}}
+
{{#set: molecular-weight=224.325}}

Revision as of 13:12, 14 January 2021

Metabolite RS-TETRAHYDROBENZYLISOQUINOLINE

  • common-name:
    • (r,s)-tetrahydrobenzylisoquinoline
  • smiles:
    • c3(c=cc(cc1(c2(c(cc[n+]1)=cc=cc=2)))=cc=3)
  • inchi-key:
    • yrycifuzsumaay-uhfffaoysa-o
  • molecular-weight:
    • 224.325

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality