Difference between revisions of "CPD-4143"

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(Created page with "Category:metabolite == Metabolite CPD-693 == * common-name: ** 2-cis-abscisate * smiles: ** cc(=cc([o-])=o)c=cc1(c(c)(c)cc(=o)c=c(c)1)o * inchi-key: ** jlidbldqvayhne-ykal...")
(Created page with "Category:metabolite == Metabolite CPD-4143 == * common-name: ** sitosterol * smiles: ** ccc(c(c)c)ccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34)))) * inchi-key...")
 
(5 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-693 ==
+
== Metabolite CPD-4143 ==
 
* common-name:
 
* common-name:
** 2-cis-abscisate
+
** sitosterol
 
* smiles:
 
* smiles:
** cc(=cc([o-])=o)c=cc1(c(c)(c)cc(=o)c=c(c)1)o
+
** ccc(c(c)c)ccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** jlidbldqvayhne-ykalocixsa-m
+
** kzjwdpnrjallns-vjsfxxlfsa-n
 
* molecular-weight:
 
* molecular-weight:
** 263.313
+
** 414.713
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12128]]
 +
* [[RXN-12789]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.2.3.14-RXN]]
+
* [[RXN-12789]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-cis-abscisate}}
+
{{#set: common-name=sitosterol}}
{{#set: inchi-key=inchikey=jlidbldqvayhne-ykalocixsa-m}}
+
{{#set: inchi-key=inchikey=kzjwdpnrjallns-vjsfxxlfsa-n}}
{{#set: molecular-weight=263.313}}
+
{{#set: molecular-weight=414.713}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-4143

  • common-name:
    • sitosterol
  • smiles:
    • ccc(c(c)c)ccc(c)[ch]3(cc[ch]4([ch]2(cc=c1(cc(o)ccc(c)1[ch]2ccc(c)34))))
  • inchi-key:
    • kzjwdpnrjallns-vjsfxxlfsa-n
  • molecular-weight:
    • 414.713

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality