Difference between revisions of "Annotation"

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(Created page with "Category:metabolite == Metabolite CPD-19160 == * smiles: ** ccccccc=ccccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c...")
(Created page with "Category:metabolite == Metabolite CPD-3943 == * smiles: ** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34)))) * common-name: ** (22α)-hydroxy-...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-19160 ==
+
== Metabolite CPD-3943 ==
 
* smiles:
 
* smiles:
** ccccccc=ccccccccc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
+
** cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 
* common-name:
 
* common-name:
** 3-oxo-(11z)-octadecenoyl-coa
+
** (22α)-hydroxy-campesterol
 
* inchi-key:
 
* inchi-key:
** ourowzutgfhrje-saiinbspsa-j
+
** lszjaiforslkoy-pacuacimsa-n
 
* molecular-weight:
 
* molecular-weight:
** 1041.936
+
** 416.686
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-17786]]
+
* [[RXN-4225]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-(11z)-octadecenoyl-coa}}
+
{{#set: common-name=(22α)-hydroxy-campesterol}}
{{#set: inchi-key=inchikey=ourowzutgfhrje-saiinbspsa-j}}
+
{{#set: inchi-key=inchikey=lszjaiforslkoy-pacuacimsa-n}}
{{#set: molecular-weight=1041.936}}
+
{{#set: molecular-weight=416.686}}

Revision as of 09:25, 14 January 2021

Metabolite CPD-3943

  • smiles:
    • cc(c)c(c)cc(o)c(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
  • common-name:
    • (22α)-hydroxy-campesterol
  • inchi-key:
    • lszjaiforslkoy-pacuacimsa-n
  • molecular-weight:
    • 416.686

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality