Difference between revisions of "CPD-514"

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(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...")
(Created page with "Category:metabolite == Metabolite CPD-13473 == * common-name: ** 3-(4-deoxy-β-d-gluc-4-enuronosyl)-n-acetyl-d-glucosamine * smiles: ** cc(=o)nc2(c(o)oc(co)c(o)c(oc1(o...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite INDOLE_ACETALDEHYDE ==
+
== Metabolite CPD-13473 ==
 
* common-name:
 
* common-name:
** (indol-3-yl)acetaldehyde
+
** 3-(4-deoxy-β-d-gluc-4-enuronosyl)-n-acetyl-d-glucosamine
 
* smiles:
 
* smiles:
** [ch](=o)cc1(c2(c(nc=1)=cc=cc=2))
+
** cc(=o)nc2(c(o)oc(co)c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
 
* inchi-key:
 
* inchi-key:
** whooumghgspmgr-uhfffaoysa-n
+
** dlgjwsvwtwewbj-zdlrkiohsa-m
 
* molecular-weight:
 
* molecular-weight:
** 159.187
+
** 378.312
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10715]]
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* [[RXN-16485]]
* [[RXN-10717]]
 
* [[RXN-5581]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1401]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(indol-3-yl)acetaldehyde}}
+
{{#set: common-name=3-(4-deoxy-β-d-gluc-4-enuronosyl)-n-acetyl-d-glucosamine}}
{{#set: inchi-key=inchikey=whooumghgspmgr-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=dlgjwsvwtwewbj-zdlrkiohsa-m}}
{{#set: molecular-weight=159.187}}
+
{{#set: molecular-weight=378.312}}

Revision as of 15:25, 5 January 2021

Metabolite CPD-13473

  • common-name:
    • 3-(4-deoxy-β-d-gluc-4-enuronosyl)-n-acetyl-d-glucosamine
  • smiles:
    • cc(=o)nc2(c(o)oc(co)c(o)c(oc1(oc(c([o-])=o)=cc(o)c(o)1))2)
  • inchi-key:
    • dlgjwsvwtwewbj-zdlrkiohsa-m
  • molecular-weight:
    • 378.312

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality