Difference between revisions of "CPD-4081"

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(Created page with "Category:metabolite == Metabolite 2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA == * common-name: ** 2-protocatechuoylphloroglucinolcarboxylate * smiles: ** c(c1(c(=cc(o)=cc(o)...")
(Created page with "Category:metabolite == Metabolite CPD-4081 == * common-name: ** 4α-methyl-5α-ergosta-8,24-dien-3β-ol * smiles: ** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(cc[ch]1...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA ==
+
== Metabolite CPD-4081 ==
 
* common-name:
 
* common-name:
** 2-protocatechuoylphloroglucinolcarboxylate
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** 4α-methyl-5α-ergosta-8,24-dien-3β-ol
 
* smiles:
 
* smiles:
** c(c1(c(=cc(o)=cc(o)=1)oc(c2(c=cc(=c(c=2)o)o))=o))([o-])=o
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** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
 
* inchi-key:
 
* inchi-key:
** grxielrcpyieqi-uhfffaoysa-m
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** qldnwjojcdimkk-xlfbywhpsa-n
 
* molecular-weight:
 
* molecular-weight:
** 305.22
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** 412.698
 
== 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 ==
* [[QUERCETIN-23-DIOXYGENASE-RXN]]
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* [[RXN-4144]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-protocatechuoylphloroglucinolcarboxylate}}
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{{#set: common-name=4α-methyl-5α-ergosta-8,24-dien-3β-ol}}
{{#set: inchi-key=inchikey=grxielrcpyieqi-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=qldnwjojcdimkk-xlfbywhpsa-n}}
{{#set: molecular-weight=305.22}}
+
{{#set: molecular-weight=412.698}}

Latest revision as of 11:13, 18 March 2021

Metabolite CPD-4081

  • common-name:
    • 4α-methyl-5α-ergosta-8,24-dien-3β-ol
  • smiles:
    • cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(c(c)c(o)ccc(c)1c=2ccc(c)34))))
  • inchi-key:
    • qldnwjojcdimkk-xlfbywhpsa-n
  • molecular-weight:
    • 412.698

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality