Difference between revisions of "CPD-15036"

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(Created page with "Category:metabolite == Metabolite CPD-15036 == * common-name: ** 5-dehydro-4-deoxy-2-o-sulfo-d-glucuronate * smiles: ** c(=o)c(os([o-])(=o)=o)c(o)cc(=o)c(=o)[o-] * inchi-k...")
(Created page with "Category:metabolite == Metabolite ALLANTOATE == * common-name: ** allantoate * smiles: ** c(c(=o)[o-])(nc(=o)n)nc(=o)n * inchi-key: ** nucljnswzchrkl-uhfffaoysa-m * molecu...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-15036 ==
+
== Metabolite ALLANTOATE ==
 
* common-name:
 
* common-name:
** 5-dehydro-4-deoxy-2-o-sulfo-d-glucuronate
+
** allantoate
 
* smiles:
 
* smiles:
** c(=o)c(os([o-])(=o)=o)c(o)cc(=o)c(=o)[o-]
+
** c(c(=o)[o-])(nc(=o)n)nc(=o)n
 
* inchi-key:
 
* inchi-key:
** wfkzeqzrfipkif-ucorvyfpsa-l
+
** nucljnswzchrkl-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 254.168
+
** 175.124
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[ALLANTOICASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14021]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=5-dehydro-4-deoxy-2-o-sulfo-d-glucuronate}}
+
{{#set: common-name=allantoate}}
{{#set: inchi-key=inchikey=wfkzeqzrfipkif-ucorvyfpsa-l}}
+
{{#set: inchi-key=inchikey=nucljnswzchrkl-uhfffaoysa-m}}
{{#set: molecular-weight=254.168}}
+
{{#set: molecular-weight=175.124}}

Revision as of 18:57, 14 January 2021

Metabolite ALLANTOATE

  • common-name:
    • allantoate
  • smiles:
    • c(c(=o)[o-])(nc(=o)n)nc(=o)n
  • inchi-key:
    • nucljnswzchrkl-uhfffaoysa-m
  • molecular-weight:
    • 175.124

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality