Difference between revisions of "CHOLATE"

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(Created page with "Category:metabolite == Metabolite CPD-13930 == * common-name: ** (z)-2-methyl-peroxyaminoacrylate * smiles: ** cc(=cn)c(=o)oo * inchi-key: ** dyysamfojrgamq-ihwypqmzsa-n *...")
(Created page with "Category:metabolite == Metabolite CHOLATE == * common-name: ** cholate * smiles: ** cc(ccc(=o)[o-])[ch]2(cc[ch]3([ch]4(c(o)c[ch]1(cc(o)ccc(c)1[ch](cc(o)c(c)23)4)))) * inch...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-13930 ==
+
== Metabolite CHOLATE ==
 
* common-name:
 
* common-name:
** (z)-2-methyl-peroxyaminoacrylate
+
** cholate
 
* smiles:
 
* smiles:
** cc(=cn)c(=o)oo
+
** cc(ccc(=o)[o-])[ch]2(cc[ch]3([ch]4(c(o)c[ch]1(cc(o)ccc(c)1[ch](cc(o)c(c)23)4))))
 
* inchi-key:
 
* inchi-key:
** dyysamfojrgamq-ihwypqmzsa-n
+
** bhqcqffyrzlcqq-oeldtzbjsa-m
 
* molecular-weight:
 
* molecular-weight:
** 117.104
+
** 407.569
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[7-ALPHA-HYDROXYSTEROID-DEH-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12895]]
 
* [[RXN-12896]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(z)-2-methyl-peroxyaminoacrylate}}
+
{{#set: common-name=cholate}}
{{#set: inchi-key=inchikey=dyysamfojrgamq-ihwypqmzsa-n}}
+
{{#set: inchi-key=inchikey=bhqcqffyrzlcqq-oeldtzbjsa-m}}
{{#set: molecular-weight=117.104}}
+
{{#set: molecular-weight=407.569}}

Latest revision as of 11:15, 18 March 2021

Metabolite CHOLATE

  • common-name:
    • cholate
  • smiles:
    • cc(ccc(=o)[o-])[ch]2(cc[ch]3([ch]4(c(o)c[ch]1(cc(o)ccc(c)1[ch](cc(o)c(c)23)4))))
  • inchi-key:
    • bhqcqffyrzlcqq-oeldtzbjsa-m
  • molecular-weight:
    • 407.569

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality