Difference between revisions of "BENZENE-NO2"

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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 BENZENE-NO2 == * common-name: ** nitrobenzene * smiles: ** c1(=cc=c(c=c1)[n+]([o-])=o) * inchi-key: ** lqnuzadurlcdlv-uhfffaoysa-n * mole...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14271 ==
+
== Metabolite BENZENE-NO2 ==
 
* common-name:
 
* common-name:
** 3-oxoicosanoyl-coa
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** nitrobenzene
 
* 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
+
** c1(=cc=c(c=c1)[n+]([o-])=o)
 
* inchi-key:
 
* inchi-key:
** fybvhnzjdvuvlj-ibyujnrcsa-j
+
** lqnuzadurlcdlv-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 1072.006
+
** 123.111
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13298]]
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* [[RXN-3661]]
 
== 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=nitrobenzene}}
{{#set: inchi-key=inchikey=fybvhnzjdvuvlj-ibyujnrcsa-j}}
+
{{#set: inchi-key=inchikey=lqnuzadurlcdlv-uhfffaoysa-n}}
{{#set: molecular-weight=1072.006}}
+
{{#set: molecular-weight=123.111}}

Latest revision as of 11:12, 18 March 2021

Metabolite BENZENE-NO2

  • common-name:
    • nitrobenzene
  • smiles:
    • c1(=cc=c(c=c1)[n+]([o-])=o)
  • inchi-key:
    • lqnuzadurlcdlv-uhfffaoysa-n
  • molecular-weight:
    • 123.111

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality