Difference between revisions of "CPD-514"

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(Created page with "Category:metabolite == Metabolite CPD-479 == * common-name: ** 4-(methylsulfanyl)-2-oxobutanoate * smiles: ** csccc(c([o-])=o)=o * inchi-key: ** sxfsqzdsuwackx-uhfffaoysa-...")
(Created page with "Category:metabolite == Metabolite INDOLE_ACETALDEHYDE == * common-name: ** (indol-3-yl)acetaldehyde * smiles: ** [ch](=o)cc1(c2(c(nc=1)=cc=cc=2)) * inchi-key: ** whooumghg...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-479 ==
+
== Metabolite INDOLE_ACETALDEHYDE ==
 
* common-name:
 
* common-name:
** 4-(methylsulfanyl)-2-oxobutanoate
+
** (indol-3-yl)acetaldehyde
 
* smiles:
 
* smiles:
** csccc(c([o-])=o)=o
+
** [ch](=o)cc1(c2(c(nc=1)=cc=cc=2))
 
* inchi-key:
 
* inchi-key:
** sxfsqzdsuwackx-uhfffaoysa-m
+
** whooumghgspmgr-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 147.168
+
** 159.187
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14147]]
+
* [[RXN-10715]]
 +
* [[RXN-10717]]
 +
* [[RXN-5581]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[R147-RXN]]
+
* [[RXN-1401]]
* [[RXN-14147]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-(methylsulfanyl)-2-oxobutanoate}}
+
{{#set: common-name=(indol-3-yl)acetaldehyde}}
{{#set: inchi-key=inchikey=sxfsqzdsuwackx-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=whooumghgspmgr-uhfffaoysa-n}}
{{#set: molecular-weight=147.168}}
+
{{#set: molecular-weight=159.187}}

Revision as of 14:54, 5 January 2021

Metabolite INDOLE_ACETALDEHYDE

  • common-name:
    • (indol-3-yl)acetaldehyde
  • smiles:
    • [ch](=o)cc1(c2(c(nc=1)=cc=cc=2))
  • inchi-key:
    • whooumghgspmgr-uhfffaoysa-n
  • molecular-weight:
    • 159.187

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality