Difference between revisions of "CPD-504"

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(Created page with "Category:metabolite == Metabolite CPD-14271 == * common-name: ** 3-oxoicosanoyl-coa * smiles: ** cccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])...")
(Created page with "Category:metabolite == Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD == * common-name: ** pelargonidin-3-o-β-d-glucoside * smiles: ** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14271 ==
+
== Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD ==
 
* common-name:
 
* common-name:
** 3-oxoicosanoyl-coa
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** pelargonidin-3-o-β-d-glucoside
 
* smiles:
 
* smiles:
** cccccccccccccccccc(=o)cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
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** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
 
* inchi-key:
 
* inchi-key:
** fybvhnzjdvuvlj-ibyujnrcsa-j
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** abvcubuixwjyse-gqupqbgvsa-m
 
* molecular-weight:
 
* molecular-weight:
** 1072.006
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** 431.375
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13298]]
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* [[RXN-7828]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13294]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxoicosanoyl-coa}}
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{{#set: common-name=pelargonidin-3-o-β-d-glucoside}}
{{#set: inchi-key=inchikey=fybvhnzjdvuvlj-ibyujnrcsa-j}}
+
{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
{{#set: molecular-weight=1072.006}}
+
{{#set: molecular-weight=431.375}}

Revision as of 11:13, 15 January 2021

Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD

  • common-name:
    • pelargonidin-3-o-β-d-glucoside
  • smiles:
    • c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
  • inchi-key:
    • abvcubuixwjyse-gqupqbgvsa-m
  • molecular-weight:
    • 431.375

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality